Geometry & MOs

Info

ID:	61303
PubChem CID:	26708062
Reduced:	BrClNO3C17H17 (1)
Stoich.:	ABCD3E17F17 (1)
Weight, g/mol:	321.051634
ΔH_f, kcal/mol:	-85.44
Dipole, Da:	5.13
IP(EA), eV:	-9.19(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1Cl)NC(=O)C2=CC(=C(C(=C2)OC)Br)OC

DOS

IR

Vibrations