Geometry & MOs

Info

ID:	156374
PubChem CID:	56370320
Reduced:	O3N6C25H30 (1)
Stoich.:	A3B6C25D30 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-62.14
Dipole, Da:	3.55
IP(EA), eV:	-8.03(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(methylsulfonylmethyl)-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)C3=NN(C(C3)C(=O)N)C4=CC=CC=C4

DOS

IR

Vibrations