Geometry & MOs

Info

ID:

11610

PubChem CID:

118184

Reduced:

O4C25H38 (1)

Stoich.:

A4B25C38 (1)

Weight, g/mol:

402.27701

ΔHf, kcal/mol:

-234.08

Dipole, Da:

5.76

IP(EA), eV:

 -9.25(0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations