Geometry & MOs

Info

ID:	261253
PubChem CID:	103224342
Reduced:	N2S2O3C6H8 (1)
Stoich.:	A2B2C3D6E8 (1)
Weight, g/mol:	194.06128
ΔH_f, kcal/mol:	-74.7
Dipole, Da:	4.58
IP(EA), eV:	-9.5(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxypropan-2-ylsulfanyl)-3-methoxypropanoic acid

Drug info:

PubChemData

Smile

COCC(C(=O)O)SC1=NC=NS1

DOS

IR

Vibrations