Geometry & MOs

Info

ID:

392086

PubChem CID:

135012724

Reduced:

N3O5H27C33 (1)

Stoich.:

A3B5C27D33 (1)

Weight, g/mol:

328.24023

ΔHf, kcal/mol:

13.13

Dipole, Da:

3.6

IP(EA), eV:

 -9.18(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(13R,14S,17R)-17-[(2S)-4-hydroxybutan-2-yl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CCCC#CC1=CC=CC=C1C(C(=O)NCC2=CC=CC=C2)N3C4=CC=CC=C4OC5=C(C3=O)C=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations