Geometry & MOs

Info

ID:	271944
PubChem CID:	103704033
Reduced:	SN3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	270.083827
ΔH_f, kcal/mol:	11.2
Dipole, Da:	3.99
IP(EA), eV:	-8.6(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-(3-methylsulfanylcyclopentyl)-2-nitroaniline

Drug info:

PubChemData

Smile

CCC1=CC(=NC=N1)NC2CCCC2SC

DOS

IR

Vibrations