Geometry & MOs

Info

ID:	120947
PubChem CID:	50751691
Reduced:	SN4O4C21H24 (1)
Stoich.:	AB4C4D21E24 (1)
Weight, g/mol:	428.151826
ΔH_f, kcal/mol:	-84.54
Dipole, Da:	5.4
IP(EA), eV:	-8.8(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethylphenyl)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C2=CC(=NN2)C3=CC(=C(C=C3)OC)S(=O)(=O)N(C)C

DOS

IR

Vibrations