Geometry & MOs

Info

ID:	294087
PubChem CID:	117426898
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	269.108565
ΔH_f, kcal/mol:	-110.48
Dipole, Da:	7.28
IP(EA), eV:	-8.89(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-aminocyclohexyl)-5-methylsulfonylphenol

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=CC=C1O)C2(CCCC2)CN

DOS

IR

Vibrations