Geometry & MOs

Info

ID:	261252
PubChem CID:	103224325
Reduced:	FNSO3C10H12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	219.997634
ΔH_f, kcal/mol:	-149.39
Dipole, Da:	9.17
IP(EA), eV:	-9.03(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-2-(1,2,4-thiadiazol-5-ylsulfanyl)propanoic acid

Drug info:

PubChemData

Smile

COCC(C(=O)O)SC1=CC(=C(C=C1)N)F

DOS

IR

Vibrations