Geometry & MOs

Info

ID:	205101
PubChem CID:	80056161
Reduced:	SO2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	297.139865
ΔH_f, kcal/mol:	-202.87
Dipole, Da:	4.81
IP(EA), eV:	-9.02(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(3-methylsulfonylcyclohexyl)oxyphenyl]ethanamine

Drug info:

PubChemData

Smile

CC(CSC1CCCC(C1)S(=O)(=O)C)C(=O)OC

DOS

IR

Vibrations