Geometry & MOs

Info

ID:	366226
PubChem CID:	127319675
Reduced:	SO3N4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	352.066383
ΔH_f, kcal/mol:	-71.91
Dipole, Da:	4.28
IP(EA), eV:	-9.52(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC=CC=N2)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations