Geometry & MOs

Info

ID:	236411
PubChem CID:	92712767
Reduced:	N3O6H17C18 (1)
Stoich.:	A3B6C17D18 (1)
Weight, g/mol:	391.116821
ΔH_f, kcal/mol:	-79.41
Dipole, Da:	4.95
IP(EA), eV:	-8.5(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations