Geometry & MOs

Info

ID:	236364
PubChem CID:	92712538
Reduced:	N3O5H17C21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	432.99095
ΔH_f, kcal/mol:	-22.07
Dipole, Da:	6.54
IP(EA), eV:	-8.68(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-5-(4-bromophenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-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(C4=CC=CC=C34)OC

DOS

IR

Vibrations