Geometry & MOs

Info

ID:	366106
PubChem CID:	127319467
Reduced:	SN2O3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	397.00958
ΔH_f, kcal/mol:	-103.09
Dipole, Da:	4.5
IP(EA), eV:	-8.6(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)CCN2C=CC3=CC=CC=C32

DOS

IR

Vibrations