Geometry & MOs

Info

ID:

384736

PubChem CID:

134977590

Reduced:

PS4C6H12 (1)

Stoich.:

AB4C6D12 (1)

Weight, g/mol:

428.04021

ΔHf, kcal/mol:

41.69

Dipole, Da:

5.75

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.770165

Charge, e:

 0

Chem-info

IUPAC name:

butyl (iodo-methyl-diphenyl-lambda5-phosphanyl)formate

Drug info:

PubChemData

Smile

CC[P+](CC)(C(=S)S)C(=S)S

DOS

IR

Vibrations