Geometry & MOs

Info

ID:	14979
PubChem CID:	425814
Reduced:	PS2C19H34 (1)
Stoich.:	AB2C19D34 (1)
Weight, g/mol:	358.19178
ΔH_f, kcal/mol:	-44.7
Dipole, Da:	8.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772106
Charge, e:	0

Chem-info

IUPAC name:

(tricyclohexyl-lambda5-phosphanyl)methanedithioic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)P(C2CCCCC2)(C3CCCCC3)C(=S)S

DOS

IR

Vibrations