Geometry & MOs

Info

ID:	73870
PubChem CID:	48420863
Reduced:	ClS2N3O3H8C12 (1)
Stoich.:	AB2C3D3E8F12 (1)
Weight, g/mol:	343.018225
ΔH_f, kcal/mol:	-31.03
Dipole, Da:	1.46
IP(EA), eV:	-10.04(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-1,3-thiazole-5-carbonyl)-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CS(=O)(=O)NC(=O)C2=C(N=CS2)Cl)C#N

DOS

IR

Vibrations