Geometry & MOs

Info

ID:	236425
PubChem CID:	92712804
Reduced:	ClN4O5H19C20 (1)
Stoich.:	AB4C5D19E20 (1)
Weight, g/mol:	394.03169
ΔH_f, kcal/mol:	-77.77
Dipole, Da:	6.13
IP(EA), eV:	-8.84(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)CC[C@H]2N(N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C

DOS

IR

Vibrations