Geometry & MOs

Info

ID:	401290
PubChem CID:	135050829
Reduced:	OSN3H17C19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	308.098334
ΔH_f, kcal/mol:	64.95
Dipole, Da:	5.47
IP(EA), eV:	-8.94(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N/N=C/C(=C(/C)\SC#N)/C2=CC=CC=C2

DOS

IR

Vibrations