Geometry & MOs

Info

ID:	341963
PubChem CID:	127264656
Reduced:	ClNO2C10H16 (1)
Stoich.:	ABC2D10E16 (1)
Weight, g/mol:	251.038292
ΔH_f, kcal/mol:	-101.93
Dipole, Da:	3.08
IP(EA), eV:	-9.35(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride

Drug info:

PubChemData

Smile

COCC1=CC(=CC=C1)[C@@H](CO)N.Cl

DOS

IR

Vibrations