Geometry & MOs

Info

ID:	238259
PubChem CID:	92729845
Reduced:	ClN3O4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	413.175084
ΔH_f, kcal/mol:	-134.12
Dipole, Da:	6.17
IP(EA), eV:	-9.09(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[4-[(4-fluorobenzoyl)amino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COCCNC(=O)[C@H]1CCCN1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations