Geometry & MOs

Info

ID:	290523
PubChem CID:	104643463
Reduced:	NSO3C6H13 (1)
Stoich.:	ABC3D6E13 (1)
Weight, g/mol:	193.077265
ΔH_f, kcal/mol:	-138.62
Dipole, Da:	2.13
IP(EA), eV:	-9.06(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-amino-2-hydroxypropyl)sulfanylacetate

Drug info:

PubChemData

Smile

COC(=O)CSCC(CN)O

DOS

IR

Vibrations