Geometry & MOs

Info

ID:	153744
PubChem CID:	56313055
Reduced:	FBr2O2N3H12C19 (1)
Stoich.:	AB2C2D3E12F19 (1)
Weight, g/mol:	496.05463
ΔH_f, kcal/mol:	-37.52
Dipole, Da:	6.86
IP(EA), eV:	-9.23(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)Br)F)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations