Geometry & MOs

Info

ID:	244147
PubChem CID:	99319108
Reduced:	SF2N3O3C21H21 (1)
Stoich.:	AB2C3D3E21F21 (1)
Weight, g/mol:	423.120604
ΔH_f, kcal/mol:	-177.75
Dipole, Da:	3.77
IP(EA), eV:	-8.32(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations