Geometry & MOs

Info

ID:	231037
PubChem CID:	87572496
Reduced:	NPSCl2O8C30H34 (1)
Stoich.:	ABCD2E8F30G34 (1)
Weight, g/mol:	507.154763
ΔH_f, kcal/mol:	-377.56
Dipole, Da:	1.39
IP(EA), eV:	-8.74(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(benzenesulfonylmethyl)-3-methylphenyl]-triphenylphosphanium

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCC(OC(=O)C(C)(C)C)OP(=O)(C(C1=CSC2=C1C=C(C=C2)Cl)C(=O)N(C=C)C3=CC(=CC=C3)Cl)O

DOS

IR

Vibrations