Geometry & MOs

Info

ID:

384679

PubChem CID:

134977450

Reduced:

PO2S2C16H30 (1)

Stoich.:

AB2C2D16E30 (1)

Weight, g/mol:

536.03565

ΔHf, kcal/mol:

-134.22

Dipole, Da:

13.63

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.756310

Charge, e:

0

Chem-info

IUPAC name:

iodo-methyl-(2-propylselanylethyl)-bis(2-pyridin-4-ylethyl)-lambda5-phosphane

Drug info:

PubChemData

Smile

CCCC[P+](CCCC)(CCCC)C1SC=C(S1)C(=O)O

DOS

IR

Vibrations