Geometry & MOs

Info

ID:	68906
PubChem CID:	46511524
Reduced:	FN2O5H19C20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	481.158389
ΔH_f, kcal/mol:	-136.23
Dipole, Da:	1.97
IP(EA), eV:	-8.49(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methylphenyl)-5-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)COC(=O)CCOC3=CC=CC=C3OC)F

DOS

IR

Vibrations