Geometry & MOs

Info

ID:	203458
PubChem CID:	79833133
Reduced:	SO3N4C12H16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	329.121628
ΔH_f, kcal/mol:	-69.96
Dipole, Da:	6.53
IP(EA), eV:	-8.94(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-chlorophenyl)sulfonyl-N-ethyl-2,2-dimethylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=O)N2C(=N1)SC(=N2)CN3CCOC(C3)CO

DOS

IR

Vibrations