Geometry & MOs

Info

ID:	205105
PubChem CID:	80056165
Reduced:	SN2O3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	321.035705
ΔH_f, kcal/mol:	-107.83
Dipole, Da:	4.46
IP(EA), eV:	-8.25(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-(3-methylsulfonylcyclohexyl)aniline

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NC2CCCC(C2)S(=O)(=O)C

DOS

IR

Vibrations