Geometry & MOs

Info

ID:	290524
PubChem CID:	104643464
Reduced:	NSO3C7H15 (1)
Stoich.:	ABC3D7E15 (1)
Weight, g/mol:	151.0667
ΔH_f, kcal/mol:	-147.53
Dipole, Da:	1.61
IP(EA), eV:	-9.07(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-3-(2-hydroxyethylsulfanyl)propan-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)CSCC(CN)O

DOS

IR

Vibrations