Geometry & MOs

Info

ID:	157525
PubChem CID:	56435534
Reduced:	SO3N4C22H34 (1)
Stoich.:	AB3C4D22E34 (1)
Weight, g/mol:	448.250812
ΔH_f, kcal/mol:	-105.23
Dipole, Da:	3.16
IP(EA), eV:	-8.72(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC(=NN2C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations