Geometry & MOs

Info

ID:

53733

PubChem CID:

14717827

Reduced:

SO3C28H44 (1)

Stoich.:

AB3C28D44 (1)

Weight, g/mol:

522.407296

ΔHf, kcal/mol:

-176.84

Dipole, Da:

5.28

IP(EA), eV:

 -9.12(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-methoxyphenyl) 10,13-dimethyl-17-(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

CCCCCCCCCC1=CC2=C(C=C1)C(=C(C=C2)CCCCCCCCC)S(=O)(=O)O

DOS

IR

Vibrations