Geometry & MOs

Info

ID:	290535
PubChem CID:	104643508
Reduced:	OSN2C10H16 (1)
Stoich.:	ABC2D10E16 (1)
Weight, g/mol:	181.077265
ΔH_f, kcal/mol:	-37.88
Dipole, Da:	3.07
IP(EA), eV:	-8.27(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-amino-2-hydroxypropyl)sulfanylpropane-1,2-diol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)SCC(CN)O)N

DOS

IR

Vibrations