Geometry & MOs

Info

ID:	290530
PubChem CID:	104643478
Reduced:	OSN3C8H13 (1)
Stoich.:	ABC3D8E13 (1)
Weight, g/mol:	232.043712
ΔH_f, kcal/mol:	-17.35
Dipole, Da:	2.5
IP(EA), eV:	-8.78(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-3-(2-amino-6-chlorophenyl)sulfanylpropan-2-ol

Drug info:

PubChemData

Smile

C1=CN=CC(=C1SCC(CN)O)N

DOS

IR

Vibrations