Geometry & MOs

Info

ID:	366225
PubChem CID:	127319674
Reduced:	ClSN2O4C17H23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	348.125612
ΔH_f, kcal/mol:	-184.24
Dipole, Da:	5.55
IP(EA), eV:	-9.73(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1CCCS(=O)(=O)C1)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations