Geometry & MOs

Info

ID:	442947
PubChem CID:	135257014
Reduced:	N3P3O15C16H24 (1)
Stoich.:	A3B3C15D16E24 (1)
Weight, g/mol:	1076.403667
ΔH_f, kcal/mol:	-827.16
Dipole, Da:	4.5
IP(EA), eV:	-9.72(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,41-bis[2,6-di(propan-2-yl)phenyl]-20-formyl-40,42-dioxo-2,15,23,36-tetraoxa-41-azadodecacyclo[41.7.1.03,8.09,14.016,49.019,48.022,47.024,29.030,35.037,46.039,44.045,50]henpentaconta-1(50),3,5,7,9,11,13,16(49),17,19(48),20,22(47),24,26,28,30,32,34,37(46),38,43(51),44-docosaene-18-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCC(=O)NCC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCC(=O)NCC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):