Geometry & MOs

Info

ID:

53735

PubChem CID:

14717829

Reduced:

O3C35H54 (1)

Stoich.:

A3B35C54 (1)

Weight, g/mol:

484.410043

ΔHf, kcal/mol:

-183.32

Dipole, Da:

3.36

IP(EA), eV:

 -8.69(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@]3(C(CCC4)C(=O)OC5=CC=CC=C5OC)C)C

DOS

IR

Vibrations