Geometry & MOs

Info

ID:	290522
PubChem CID:	104643462
Reduced:	NSO3C7H15 (1)
Stoich.:	ABC3D7E15 (1)
Weight, g/mol:	179.061614
ΔH_f, kcal/mol:	-145.16
Dipole, Da:	3.43
IP(EA), eV:	-9.02(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)CCSCC(CN)O

DOS

IR

Vibrations