Geometry & MOs

Info

ID:	387198
PubChem CID:	134984371
Reduced:	PS2C8H19 (1)
Stoich.:	AB2C8D19 (1)
Weight, g/mol:	504.157044
ΔH_f, kcal/mol:	-99.24
Dipole, Da:	3.76
IP(EA), eV:	-8.79(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3,7-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium;hexafluorophosphate

Drug info:

PubChemData

Smile

CCCCSP(=S)(CC)CC

DOS

IR

Vibrations