Geometry & MOs

Info

ID:

305013

PubChem CID:

124766427

Reduced:

N2O9C17H20 (1)

Stoich.:

A2B9C17D20 (1)

Weight, g/mol:

409.272927

ΔHf, kcal/mol:

-301.79

Dipole, Da:

11.0

IP(EA), eV:

 -9.24(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(Z)-[(3R,5S,8S,9R,10S,13S,14R)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ylidene]amino]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CO[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)NC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations