Geometry & MOs

Info

ID:	246870
PubChem CID:	103065248
Reduced:	FSN4C10H15 (1)
Stoich.:	ABC4D10E15 (1)
Weight, g/mol:	282.115047
ΔH_f, kcal/mol:	-17.79
Dipole, Da:	1.39
IP(EA), eV:	-8.72(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-6-N-propyl-2-N-(thiolan-3-yl)pyridine-2,6-diamine

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)NC2CCSC2)F

DOS

IR

Vibrations