Geometry & MOs

Info

ID:

15602

PubChem CID:

445452

Reduced:

O3C22H36 (1)

Stoich.:

A3B22C36 (1)

Weight, g/mol:

348.266445

ΔHf, kcal/mol:

-191.12

Dipole, Da:

2.55

IP(EA), eV:

 -9.24(0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,5S,7R,10S,12S,13R,14S,17R)-10,13-dimethyl-17-propan-2-yl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol

Drug info:

PubChemData

Smile

CC(C)[C@H]1CC[C@H]2[C@@]1([C@H](CC3=C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

DOS

IR

Vibrations