Geometry & MOs

Info

ID:	238272
PubChem CID:	92729859
Reduced:	ClN3O4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	383.16452
ΔH_f, kcal/mol:	-131.18
Dipole, Da:	7.21
IP(EA), eV:	-9.09(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-ethyl-1-[4-[(2-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COCCNC(=O)[C@H]1CCCN1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations