Geometry & MOs

Info

ID:	229936
PubChem CID:	87569589
Reduced:	SCl2O2N3H9C11 (1)
Stoich.:	AB2C2D3E9F11 (1)
Weight, g/mol:	314.963603
ΔH_f, kcal/mol:	-1.16
Dipole, Da:	3.32
IP(EA), eV:	-8.5(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dichloro-2-cyano-1,2-thiazol-3-yl)amino]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N)C(=O)O.C1=C(C(N(S1)C#N)Cl)Cl

DOS

IR

Vibrations