Geometry & MOs

Info

ID:

305180

PubChem CID:

124767386

Reduced:

SN2O5C25H26 (1)

Stoich.:

AB2C5D25E26 (1)

Weight, g/mol:

372.266445

ΔHf, kcal/mol:

-143.03

Dipole, Da:

7.04

IP(EA), eV:

 -9.57(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-5-[(3S,8R,9R,10R,13S,14R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-methyloxolan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC[C@@]23C=C[C@@H](O2)[C@H]4[C@H]3C(=O)N(C4=O)CC5=CC=CC=C5)C

DOS

IR

Vibrations