Geometry & MOs

Info

ID:	366258
PubChem CID:	127319715
Reduced:	NSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	382.086639
ΔH_f, kcal/mol:	-165.21
Dipole, Da:	3.7
IP(EA), eV:	-9.2(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCS(=O)(=O)C1)OCC2=CC=CC=C2

DOS

IR

Vibrations