Geometry & MOs

Info

ID:	195006
PubChem CID:	78619647
Reduced:	OS2N4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	347.081401
ΔH_f, kcal/mol:	54.52
Dipole, Da:	4.19
IP(EA), eV:	-8.19(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-[[3-(oxolan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetate

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(S2)C=NNC(=S)NCC3=CC=CC=C3

DOS

IR

Vibrations