Geometry & MOs

Info

ID:	236402
PubChem CID:	92712744
Reduced:	ClN4O4H11C15 (1)
Stoich.:	AB4C4D11E15 (1)
Weight, g/mol:	442.073177
ΔH_f, kcal/mol:	-1.14
Dipole, Da:	4.07
IP(EA), eV:	-9.4(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2S)-3-acetyl-2-[5-(4-fluorophenyl)furan-2-yl]-2H-1,3,4-oxadiazol-5-yl]-4-chlorophenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](OC(=N1)C2=CN=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations