Geometry & MOs

Info

ID:	236409
PubChem CID:	92712764
Reduced:	Cl2N3O5H13C17 (1)
Stoich.:	A2B3C5D13E17 (1)
Weight, g/mol:	401.1223
ΔH_f, kcal/mol:	-54.82
Dipole, Da:	4.51
IP(EA), eV:	-9.39(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(3-nitrophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations