Geometry & MOs

Info

ID:	238233
PubChem CID:	92729819
Reduced:	ClN3O3C22H24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	425.21147
ΔH_f, kcal/mol:	-106.18
Dipole, Da:	4.33
IP(EA), eV:	-9.21(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-[(2-fluorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations