Geometry & MOs

Info

ID:	156775
PubChem CID:	56385582
Reduced:	F3N4O5H19C21 (1)
Stoich.:	A3B4C5D19E21 (1)
Weight, g/mol:	361.13726
ΔH_f, kcal/mol:	-331.26
Dipole, Da:	3.39
IP(EA), eV:	-8.96(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CC=C1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations