Geometry & MOs

Info

ID:	67755
PubChem CID:	46507101
Reduced:	SN4O6H18C19 (1)
Stoich.:	AB4C6D18E19 (1)
Weight, g/mol:	422.086033
ΔH_f, kcal/mol:	-129.17
Dipole, Da:	5.75
IP(EA), eV:	-8.5(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-difluorophenyl)-5-[(4-ethoxyphenyl)sulfamoyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=NN2)C(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations