Geometry & MOs

Info

ID:

149812

PubChem CID:

53789489

Reduced:

O2C33H40 (1)

Stoich.:

A2B33C40 (1)

Weight, g/mol:

414.240624

ΔHf, kcal/mol:

-36.83

Dipole, Da:

1.9

IP(EA), eV:

 -9.17(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(8S,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl]butaneperoxoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)CCCCCCCCC2=CC=CC=C2[C@H]3[C@@H](O3)C(=O)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations