Geometry & MOs

Info

ID:	73869
PubChem CID:	48420861
Reduced:	OS3N4C16H16 (1)
Stoich.:	AB3C4D16E16 (1)
Weight, g/mol:	340.969561
ΔH_f, kcal/mol:	70.05
Dipole, Da:	8.82
IP(EA), eV:	-8.55(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2-cyanophenyl)methylsulfonyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC2=C(S1)C=C(S2)C(=O)C(C#N)C3=NC(=CS3)C

DOS

IR

Vibrations