Geometry & MOs

Info

ID:

14067

PubChem CID:

403384

Reduced:

NO3C27H35 (1)

Stoich.:

AB3C27D35 (1)

Weight, g/mol:

421.261694

ΔHf, kcal/mol:

-77.13

Dipole, Da:

3.98

IP(EA), eV:

 -8.52(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,8R,9S,10R,13S,14S)-17-hydroxyimino-16-[(4-methoxyphenyl)methylidene]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC(=CC5=CC=C(C=C5)OC)C4=NO)C)O

DOS

IR

Vibrations