Geometry & MOs

Info

ID:

329557

PubChem CID:

126738216

Reduced:

O4N5C31H35 (1)

Stoich.:

A4B5C31D35 (1)

Weight, g/mol:

498.37091

ΔHf, kcal/mol:

-63.19

Dipole, Da:

6.31

IP(EA), eV:

 -7.99(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-6-[(3R,10S,13S,14S,17S)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)N3CCC(CC3)NC)OC4=C5C=C(C(=CC5=NC=C4)OC)OC

DOS

IR

Vibrations