Geometry & MOs

Info

ID:	69053
PubChem CID:	46516687
Reduced:	F2N3O3C24H27 (1)
Stoich.:	A2B3C3D24E27 (1)
Weight, g/mol:	396.116859
ΔH_f, kcal/mol:	-194.56
Dipole, Da:	6.13
IP(EA), eV:	-9.32(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methylphenyl)-5-[1-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCC1=CC=C(C=C1)C(=O)N2CCCC2)NC(=O)C3=C(C=CC=C3F)F

DOS

IR

Vibrations