Geometry & MOs

Info

ID:

15971

PubChem CID:

456623

Reduced:

SO2C26H44 (1)

Stoich.:

AB2C26D44 (1)

Weight, g/mol:

420.306202

ΔHf, kcal/mol:

-138.84

Dipole, Da:

5.42

IP(EA), eV:

 -8.34(0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CCS(=O)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C

DOS

IR

Vibrations