Geometry & MOs

Info

ID:	244146
PubChem CID:	99319107
Reduced:	SF2N3O3C21H21 (1)
Stoich.:	AB2C3D3E21F21 (1)
Weight, g/mol:	433.127169
ΔH_f, kcal/mol:	-177.49
Dipole, Da:	5.22
IP(EA), eV:	-8.49(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1-(4-methylsulfanylphenyl)-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