Geometry & MOs

Info

ID:	158671
PubChem CID:	56464581
Reduced:	SN2O9C20H20 (1)
Stoich.:	AB2C9D20E20 (1)
Weight, g/mol:	400.120526
ΔH_f, kcal/mol:	-315.33
Dipole, Da:	7.07
IP(EA), eV:	-8.89(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-methylphenyl)-4-(2-cyanoethylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)N3CC(CC3=O)C(=O)O)C(=O)O

DOS

IR

Vibrations