Geometry & MOs

Info

ID:	417093
PubChem CID:	135091301
Reduced:	N5O7C31H47 (1)
Stoich.:	A5B7C31D47 (1)
Weight, g/mol:	716.426134
ΔH_f, kcal/mol:	-320.63
Dipole, Da:	4.85
IP(EA), eV:	-8.95(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(8S,12R,15S,18S,20R)-8-[(4-hydroxyphenyl)methyl]-12-methyl-2,7,10,17-tetraoxo-15-propan-2-yl-1,6,9,16-tetrazabicyclo[16.3.0]henicosan-20-yl]-4-piperidin-1-ylbenzamide

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

CCOCC(=O)N1CCC(CC1)C(=O)N2CCCC(=O)N[C@H](C(=O)N([C@H](C(=O)NCCC2)C)C)CC3=CC=C(C=C3)OC

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

CCOCC(=O)N1CCC(CC1)C(=O)N2CCCC(=O)N[C@H](C(=O)N([C@H](C(=O)NCCC2)C)C)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):