Geometry & MOs

Info

ID:	231038
PubChem CID:	87572498
Reduced:	PSO2H28C32 (1)
Stoich.:	ABC2D28E32 (1)
Weight, g/mol:	508.162588
ΔH_f, kcal/mol:	46.53
Dipole, Da:	11.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.965794
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfonylmethyl)-1-methyl-3,4,5-triphenylbenzene;phosphane

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CS(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations