Geometry & MOs

Info

ID:	156549
PubChem CID:	56371091
Reduced:	Cl2N3O3C22H25 (1)
Stoich.:	A2B3C3D22E25 (1)
Weight, g/mol:	486.230077
ΔH_f, kcal/mol:	-113.28
Dipole, Da:	1.65
IP(EA), eV:	-8.15(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylsulfamoyl)-4,5-dimethyl-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)COC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations