Geometry & MOs

Info

ID:

303699

PubChem CID:

124490073

Reduced:

SO10C18H22 (1)

Stoich.:

AB10C18D22 (1)

Weight, g/mol:

386.282095

ΔHf, kcal/mol:

-424.35

Dipole, Da:

6.0

IP(EA), eV:

 -10.4(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,9S,10S,13R,14R,17S)-4,4,10,13-tetramethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2[C@@H](O[C@@H]([C@@H]2OC(=O)C)OC(=O)C)COC(=O)C

DOS

IR

Vibrations