Geometry & MOs

Info

ID:

307975

PubChem CID:

125311058

Reduced:

N2O2C9H9 (2)

Stoich.:

A2B2C9D9 (2)

Weight, g/mol:

465.299142

ΔHf, kcal/mol:

-42.98

Dipole, Da:

7.07

IP(EA), eV:

 -8.73(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(E)-[(8S,9R,10S,13S,14R,17S)-17-hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]oxy-N-(pyridin-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(N=NC2)C3=C(C=C(C=C3)OCC(=O)NN)O

DOS

IR

Vibrations