Geometry & MOs

Info

ID:	178227
PubChem CID:	76298458
Reduced:	BrO3N4C17H17 (1)
Stoich.:	AB3C4D17E17 (1)
Weight, g/mol:	407.93073
ΔH_f, kcal/mol:	-57.67
Dipole, Da:	7.39
IP(EA), eV:	-9.41(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-fluorophenyl)-N-(5-bromo-2-oxopiperidin-3-yl)acetamide

Drug info:

PubChemData

Smile

C1C(CNC(=O)C1NC(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3)Br

DOS

IR

Vibrations