Geometry & MOs

Info

ID:	122645
PubChem CID:	50816124
Reduced:	ClN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	427.166269
ΔH_f, kcal/mol:	-109.22
Dipole, Da:	8.34
IP(EA), eV:	-9.24(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-1-[3-[(3-chlorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1CCCN1C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations