Geometry & MOs

Info

ID:	141053
PubChem CID:	52810419
Reduced:	BrFON2H12C16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	424.136925
ΔH_f, kcal/mol:	16.04
Dipole, Da:	1.67
IP(EA), eV:	-9.05(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(2-fluoro-4-methylphenyl)-N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCC2=NN(C=C2)C3=CC(=CC=C3)F)Br

DOS

IR

Vibrations