Geometry & MOs

Info

ID:	270448
PubChem CID:	103636637
Reduced:	BrClSN2O3H10C13 (1)
Stoich.:	ABCD2E3F10G13 (1)
Weight, g/mol:	302.037067
ΔH_f, kcal/mol:	-0.87
Dipole, Da:	5.4
IP(EA), eV:	-9.65(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloroquinoxalin-2-yl)-2-fluoropyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NCCC2=CC=C(S2)Cl)Br

DOS

IR

Vibrations