Geometry & MOs

Info

ID:	10286
PubChem CID:	99752
Reduced:	ClNSO2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	271.043378
ΔH_f, kcal/mol:	-11.11
Dipole, Da:	3.1
IP(EA), eV:	-9.22(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorocyclohexyl)sulfanyl-3-nitrobenzene

Drug info:

PubChemData

Smile

C1CCC(C(C1)SC2=CC=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations