Geometry & MOs

Info

ID:	284966
PubChem CID:	104085911
Reduced:	NOSC12H19 (1)
Stoich.:	ABCD12E19 (1)
Weight, g/mol:	245.064113
ΔH_f, kcal/mol:	-41.12
Dipole, Da:	2.92
IP(EA), eV:	-8.83(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]sulfanylpropan-1-ol

Drug info:

PubChemData

Smile

CC(CO)SC1=CC=CC=C1C(C)NC

DOS

IR

Vibrations