Geometry & MOs

Info

ID:	410580
PubChem CID:	135083380
Reduced:	NS2H16C17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	342.11907
ΔH_f, kcal/mol:	70.8
Dipole, Da:	4.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.059949
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-2,4-diphenyl-1,3-thiazol-3-ium-5-yl)-phenylazanide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=[N+](C(=C(S2)S)C3=CC=CC=C3)C

DOS

IR

Vibrations