Geometry & MOs

Info

ID:

388906

PubChem CID:

134990568

Reduced:

N2S2O9C13H18 (1)

Stoich.:

A2B2C9D13E18 (1)

Weight, g/mol:

388.26136

ΔHf, kcal/mol:

-362.9

Dipole, Da:

5.58

IP(EA), eV:

 -9.9(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,5R,8S,9S,10S,13S,14S,16S,17S)-17-acetyl-10,13,16-trimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)NS(=O)(=O)O)NC(=O)OCC1=CC=CC=C1)OS(=O)(=O)C

DOS

IR

Vibrations