Geometry & MOs

Info

ID:	290533
PubChem CID:	104643484
Reduced:	OSN3C8H13 (1)
Stoich.:	ABC3D8E13 (1)
Weight, g/mol:	232.043712
ΔH_f, kcal/mol:	-18.96
Dipole, Da:	4.47
IP(EA), eV:	-8.31(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-3-(5-amino-2-chlorophenyl)sulfanylpropan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=NC=C1N)SCC(CN)O

DOS

IR

Vibrations