Geometry & MOs

Info

ID:	384678
PubChem CID:	134977449
Reduced:	PO2S2C16H29 (1)
Stoich.:	AB2C2D16E29 (1)
Weight, g/mol:	349.142485
ΔH_f, kcal/mol:	-116.32
Dipole, Da:	15.9
IP(EA), eV:	-7.94(0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tributyl-(4-carboxy-1,3-dithiol-2-yl)phosphanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations