Geometry & MOs

Info

ID:	276230
PubChem CID:	103821428
Reduced:	ClSO2N3C12H16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	301.065176
ΔH_f, kcal/mol:	-7.04
Dipole, Da:	3.85
IP(EA), eV:	-8.82(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(3-ethylsulfanylcyclopentyl)-3-nitropyridin-2-amine

Drug info:

PubChemData

Smile

CSC1CCCC(C1)NC2=C(C=C(C=N2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations