Geometry & MOs

Info

ID:	244138
PubChem CID:	99319095
Reduced:	F2N2O3C20H22 (1)
Stoich.:	A2B2C3D20E22 (1)
Weight, g/mol:	465.12669
ΔH_f, kcal/mol:	-194.49
Dipole, Da:	3.78
IP(EA), eV:	-9.46(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[2-[(2,4-difluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCCC(=O)NCCNC(=O)C2=C(C=C(C=C2)F)F)C

DOS

IR

Vibrations