Geometry & MOs

Info

ID:	265441
PubChem CID:	103521343
Reduced:	NSO3C14H23 (1)
Stoich.:	ABC3D14E23 (1)
Weight, g/mol:	291.186815
ΔH_f, kcal/mol:	-141.5
Dipole, Da:	4.27
IP(EA), eV:	-8.79(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3,3-dimethylbutane-1-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)CCS(=O)(=O)NC1=CC=C(C=C1)CCO

DOS

IR

Vibrations