Geometry & MOs

Info

ID:	420273
PubChem CID:	135112175
Reduced:	N5O5C31H39 (1)
Stoich.:	A5B5C31D39 (1)
Weight, g/mol:	491.253255
ΔH_f, kcal/mol:	-183.86
Dipole, Da:	4.91
IP(EA), eV:	-9.34(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(26S,28R)-7-methoxy-21,28-dimethyl-9,17-dioxa-1,12,13,14,25-pentazapentacyclo[24.2.2.111,14.03,8.018,23]hentriaconta-3(8),4,6,11(31),12,18(23),19,21-octaen-24-one

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

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4)C(C)C

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

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4)C(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):