Geometry & MOs

Info

ID:

302805

PubChem CID:

124396378

Reduced:

ClN2O4H25C28 (1)

Stoich.:

AB2C4D25E28 (1)

Weight, g/mol:

456.251189

ΔHf, kcal/mol:

-32.41

Dipole, Da:

4.22

IP(EA), eV:

 -8.64(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R,7S,10S,13R,14R,17S)-7-hydroxy-4,4,10,13,14-pentamethyl-17-[(2R)-2-methyl-5-oxooxolan-2-yl]-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthrene-3,11,15-trione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CO/N=C/C2=CC(=C(C(=C2)Cl)OCC3=CC=CC4=CC=CC=C43)OC

DOS

IR

Vibrations