Geometry & MOs

Info

ID:	36298
PubChem CID:	8001254
Reduced:	SN2O5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	375.088892
ΔH_f, kcal/mol:	-158.34
Dipole, Da:	1.99
IP(EA), eV:	-8.53(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OCCCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N

DOS

IR

Vibrations