Geometry & MOs

Info

ID:	342727
PubChem CID:	127265887
Reduced:	FOSN6C14H15 (1)
Stoich.:	ABCD6E14F15 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	45.65
Dipole, Da:	7.58
IP(EA), eV:	-8.89(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(5-methylfuran-2-yl)ethenyl]-3-[2-(oxan-2-yloxy)ethylsulfanyl]-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C=CC2=NC(=NN2)SCC3=NC=NN3CCF

DOS

IR

Vibrations