Geometry & MOs

Info

ID:	236412
PubChem CID:	92712773
Reduced:	N3O5H17C21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	379.012661
ΔH_f, kcal/mol:	-27.5
Dipole, Da:	8.96
IP(EA), eV:	-9.12(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-5-(4-chloro-3-nitrophenyl)-2-(3-chlorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](OC(=N1)C2=C(C=CC3=CC=CC=C32)OC)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations