Geometry & MOs

Info

ID:

47245

PubChem CID:

10530880

Reduced:

SiO3C35H62 (1)

Stoich.:

AB3C35D62 (1)

Weight, g/mol:

559.460059

ΔHf, kcal/mol:

-235.31

Dipole, Da:

3.52

IP(EA), eV:

-8.77(0.76)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(3S,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations