Geometry & MOs

Info

ID:

181359

PubChem CID:

76734510

Reduced:

MoCu2C3S6H12 (1)

Stoich.:

AB2C3D6E12 (1)

Weight, g/mol:

523.239244

ΔHf, kcal/mol:

183.87

Dipole, Da:

7.39

IP(EA), eV:

 -7.48(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-(11,17-dihydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl]sulfanyl-N-phenylacetamide

Drug info:

PubChemData

Smile

[CH3-].[CH3-].C([S-])[S-].[SH-].[SH-].[SH-].[SH-].[Cu].[Cu+2].[Mo+2]

DOS

IR

Vibrations