Geometry & MOs

Info

ID:	145116
PubChem CID:	53465898
Reduced:	F2N3O4C31H33 (1)
Stoich.:	A2B3C4D31E33 (1)
Weight, g/mol:	338.04582
ΔH_f, kcal/mol:	-226.36
Dipole, Da:	2.33
IP(EA), eV:	-9.3(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-acetylphenyl)ethynyl]-3-(4-chlorophenyl)oxadiazol-3-ium-5-olate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC(=O)NCC(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F)C(=O)N3CC4=CC=CC=C4C3

DOS

IR

Vibrations