Geometry & MOs

Info

ID:	236428
PubChem CID:	92712844
Reduced:	N3O7H19C20 (1)
Stoich.:	A3B7C19D20 (1)
Weight, g/mol:	375.062198
ΔH_f, kcal/mol:	-131.68
Dipole, Da:	8.39
IP(EA), eV:	-8.88(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-5-(2-chlorophenyl)-2-[(4-nitrophenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C2=NN([C@@H](O2)C3=CC=CC=C3[N+](=O)[O-])C(=O)C)OC(=O)C

DOS

IR

Vibrations