Geometry & MOs

Info

ID:	128926
PubChem CID:	51063683
Reduced:	OF3N3H8C11 (1)
Stoich.:	AB3C3D8E11 (1)
Weight, g/mol:	247.041548
ΔH_f, kcal/mol:	-120.79
Dipole, Da:	2.16
IP(EA), eV:	-8.83(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-nitropyridin-3-yl)sulfanylaniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC2=NC=CC(=N2)C(F)(F)F)N

DOS

IR

Vibrations