Geometry & MOs

Info

ID:	384945
PubChem CID:	134978006
Reduced:	IPSC22H24 (1)
Stoich.:	ABCD22E24 (1)
Weight, g/mol:	556.114318
ΔH_f, kcal/mol:	42.87
Dipole, Da:	7.29
IP(EA), eV:	-7.87(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylphenyl)sulfonyloxy-triphenyl-lambda5-phosphanyl]propane-1-sulfonic acid

Drug info:

PubChemData

Smile

CSCCCP(C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)I

DOS

IR

Vibrations