Geometry & MOs

Info

ID:	60584
PubChem CID:	26697230
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	490.167477
ΔH_f, kcal/mol:	-99.2
Dipole, Da:	1.96
IP(EA), eV:	-8.72(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(4-ethylphenyl)benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NCC)C

DOS

IR

Vibrations