Geometry & MOs

Info

ID:	59983
PubChem CID:	26527428
Reduced:	ON2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	430.167477
ΔH_f, kcal/mol:	-2.71
Dipole, Da:	8.24
IP(EA), eV:	-9.19(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]benzamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)NCC(=O)NC2=CC=CC(=C2)C#N

DOS

IR

Vibrations