Geometry & MOs

Info

ID:	401291
PubChem CID:	135050830
Reduced:	OSN2H16C18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	309.106159
ΔH_f, kcal/mol:	65.03
Dipole, Da:	8.1
IP(EA), eV:	-8.63(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-methyl-N-(5-methyl-4-phenyl-1,2-thiazol-2-ium-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=N\[N+]2=CC(=C(S2)C)C3=CC=CC=C3)/[O-]

DOS

IR

Vibrations