Geometry & MOs

Info

ID:	278449
PubChem CID:	103835813
Reduced:	SN3O3C13H17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-74.05
Dipole, Da:	2.48
IP(EA), eV:	-10.44(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)CNS(=O)(=O)C2=CN=C(C=C2)C#N

DOS

IR

Vibrations