Geometry & MOs

Info

ID:	61293
PubChem CID:	26708018
Reduced:	SO3N4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	431.187878
ΔH_f, kcal/mol:	-35.56
Dipole, Da:	7.33
IP(EA), eV:	-8.76(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(diethylsulfamoyl)-4-methylanilino]-3-oxopropyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3)C

DOS

IR

Vibrations