Geometry & MOs

Info

ID:	244125
PubChem CID:	99319076
Reduced:	F2N2O3C21H22 (1)
Stoich.:	A2B2C3D21E22 (1)
Weight, g/mol:	469.077153
ΔH_f, kcal/mol:	-187.89
Dipole, Da:	2.55
IP(EA), eV:	-9.14(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2,5-dichlorobenzoyl)-N-[2-[(2,4-difluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC=C(C=C2)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations