Geometry & MOs

Info

ID:	238311
PubChem CID:	92729973
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	427.166269
ΔH_f, kcal/mol:	-142.69
Dipole, Da:	9.2
IP(EA), eV:	-9.16(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-butyl-1-[4-[(3-chlorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H]1CCCN1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations