Geometry & MOs

Info

ID:	375104
PubChem CID:	131465966
Reduced:	ISO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	188.025563
ΔH_f, kcal/mol:	-65.25
Dipole, Da:	2.48
IP(EA), eV:	-8.46(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-2-(5-methyl-1,2,4-thiadiazol-3-yl)acetate

Drug info:

PubChemData

Smile

COC1=C(SC2=C1C=CC=C2C(=O)OC)I

DOS

IR

Vibrations