Geometry & MOs

Info

ID:	290536
PubChem CID:	104643520
Reduced:	NSO3C6H15 (1)
Stoich.:	ABC3D6E15 (1)
Weight, g/mol:	228.093249
ΔH_f, kcal/mol:	-148.42
Dipole, Da:	5.77
IP(EA), eV:	-8.85(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-3-(4-amino-2-methoxyphenyl)sulfanylpropan-2-ol

Drug info:

PubChemData

Smile

C(C(CSCC(CO)O)O)N

DOS

IR

Vibrations