Geometry & MOs

Info

ID:

393207

PubChem CID:

135019740

Reduced:

O6C17H20 (1)

Stoich.:

A6B17C20 (1)

Weight, g/mol:

669.363821

ΔHf, kcal/mol:

-229.5

Dipole, Da:

6.26

IP(EA), eV:

 -8.9(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(8S,9S,13S,14S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-13,17-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]prop-2-ynyl 2-phenylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCC/C=C/[C@@H]1CC(=O)C2=C(O1)C(=C(C=C2CC(=O)O)OC)O

DOS

IR

Vibrations