Geometry & MOs

Info

ID:	366171
PubChem CID:	127319580
Reduced:	N2S2O3C18H22 (1)
Stoich.:	A2B2C3D18E22 (1)
Weight, g/mol:	353.06009
ΔH_f, kcal/mol:	-107.05
Dipole, Da:	3.48
IP(EA), eV:	-8.67(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-N-(1,1-dioxothian-3-yl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(SC(=N2)C)CC(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations