Geometry & MOs

Info

ID:	199232
PubChem CID:	79221256
Reduced:	SO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	277.150036
ΔH_f, kcal/mol:	-160.16
Dipole, Da:	3.55
IP(EA), eV:	-8.5(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,3-dihydro-1-benzothiophen-3-ylmethylamino)methyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)CC1CSC2=CC=CC=C12)C(=O)OC

DOS

IR

Vibrations