Geometry & MOs

Info

ID:	83057
PubChem CID:	49857077
Reduced:	NSSiO3C28H35 (1)
Stoich.:	ABCD3E28F35 (1)
Weight, g/mol:	454.152024
ΔH_f, kcal/mol:	-122.41
Dipole, Da:	4.13
IP(EA), eV:	-9.01(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(2,6-dimethylphenyl) 2-(triphenyl-lambda5-phosphanylidene)propanethioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations