Geometry & MOs

Info

ID:	366161
PubChem CID:	127319570
Reduced:	N2S2O3C13H18 (1)
Stoich.:	A2B2C3D13E18 (1)
Weight, g/mol:	394.086639
ΔH_f, kcal/mol:	-110.52
Dipole, Da:	8.27
IP(EA), eV:	-9.28(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-5-cyclopropyl-N-(1,1-dioxothian-3-yl)-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)CSCC2=CC=CC=N2

DOS

IR

Vibrations