Geometry & MOs

Info

ID:	236376
PubChem CID:	92712565
Reduced:	N4O5H16C20 (1)
Stoich.:	A4B5C16D20 (1)
Weight, g/mol:	376.098998
ΔH_f, kcal/mol:	-10.32
Dipole, Da:	7.4
IP(EA), eV:	-9.33(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-5-[(4-chloro-2-methylphenoxy)methyl]-2-(4-fluorophenyl)-2-methyl-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2=NN([C@H](O2)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C

DOS

IR

Vibrations