Geometry & MOs

Info

ID:	17338
PubChem CID:	493392
Reduced:	NS3O5C16H17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	399.026886
ΔH_f, kcal/mol:	-140.18
Dipole, Da:	4.16
IP(EA), eV:	-9.05(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-1,4-bis(sulfanyl)butan-2-yl] 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C2O1)C3=NC(=CS3)C(=O)OC(CS)C(CS)O

DOS

IR

Vibrations