Geometry & MOs

Info

ID:	343281
PubChem CID:	127266454
Reduced:	ClON2S2H17C20 (1)
Stoich.:	ABC2D2E17F20 (1)
Weight, g/mol:	372.044775
ΔH_f, kcal/mol:	58.18
Dipole, Da:	4.62
IP(EA), eV:	-8.34(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(E)-(4-chloro-2-phenylimino-1,3-thiazol-5-ylidene)methyl]hydrazinyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C[N+](=CC=C1)/C(=C(/C2=CC=C(S2)Cl)\[O-])/C(=S)NCC3=CC=CC=C3

DOS

IR

Vibrations