Geometry & MOs

Info

ID:	61201
PubChem CID:	26707042
Reduced:	NBr2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	365.00112
ΔH_f, kcal/mol:	-72.84
Dipole, Da:	4.39
IP(EA), eV:	-9.25(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2-bromophenyl)ethyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1Br)NC(=O)C2=CC(=C(C(=C2)OC)Br)OC

DOS

IR

Vibrations