Geometry & MOs

Info

ID:

224979

PubChem CID:

85735283

Reduced:

O5C27H42 (1)

Stoich.:

A5B27C42 (1)

Weight, g/mol:

599.310301

ΔHf, kcal/mol:

-275.38

Dipole, Da:

4.11

IP(EA), eV:

 -9.81(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]disulfanyl]-2-nitrobenzoic acid

Drug info:

PubChemData

Smile

CC1CC(=O)C2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)O)O)C)C)C)OC1

DOS

IR

Vibrations