Geometry & MOs

Info

ID:	122196
PubChem CID:	50797665
Reduced:	BrFN2O2H16C18 (1)
Stoich.:	ABC2D2E16F18 (1)
Weight, g/mol:	368.155849
ΔH_f, kcal/mol:	-85.0
Dipole, Da:	3.04
IP(EA), eV:	-9.09(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylphenyl)-N-[(4-methylsulfanylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(=O)C1C(=O)NCC2=CC=CC=C2Br)C3=CC=C(C=C3)F

DOS

IR

Vibrations