Geometry & MOs

Info

ID:	165292
PubChem CID:	74527624
Reduced:	ClNO2S2H10C12 (1)
Stoich.:	ABC2D2E10F12 (1)
Weight, g/mol:	366.067428
ΔH_f, kcal/mol:	-30.94
Dipole, Da:	5.1
IP(EA), eV:	-9.34(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-acetylanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C=C2C(=O)N(C(=S)S2)CCO

DOS

IR

Vibrations