Geometry & MOs

Info

ID:

149493

PubChem CID:

53789166

Reduced:

N2O3H28C30 (1)

Stoich.:

A2B3C28D30 (1)

Weight, g/mol:

376.204988

ΔHf, kcal/mol:

12.31

Dipole, Da:

7.15

IP(EA), eV:

 -8.89(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,10S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)C(=O)O)N=NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations