Geometry & MOs

Info

ID:

53734

PubChem CID:

14717828

Reduced:

O3C35H54 (1)

Stoich.:

A3B35C54 (1)

Weight, g/mol:

522.407296

ΔHf, kcal/mol:

-180.99

Dipole, Da:

2.53

IP(EA), eV:

 -8.65(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(C(CCC4)C(=O)OC5=CC=CC=C5OC)C)C

DOS

IR

Vibrations