Geometry & MOs

Info

ID:

12039

PubChem CID:

127034

Reduced:

OSeC28H50 (1)

Stoich.:

ABC28D50 (1)

Weight, g/mol:

477.308689

ΔHf, kcal/mol:

-131.66

Dipole, Da:

2.77

IP(EA), eV:

 -8.18(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-6-methyl(75Se)selanyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

C[C@H](CCCC(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)[75Se]C)C

DOS

IR

Vibrations