Geometry & MOs

Info

ID:

53097

PubChem CID:

14709568

Reduced:

IC27H47 (1)

Stoich.:

AB27C47 (1)

Weight, g/mol:

498.27225

ΔHf, kcal/mol:

-84.89

Dipole, Da:

2.96

IP(EA), eV:

 -9.56(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1(CCC2C1CCC3C2CCC4C3(CCC(C4)I)C)C

DOS

IR

Vibrations