Geometry & MOs

Info

ID:	236358
PubChem CID:	92712530
Reduced:	N3O7H17C19 (1)
Stoich.:	A3B7C17D19 (1)
Weight, g/mol:	480.97708
ΔH_f, kcal/mol:	-125.31
Dipole, Da:	3.0
IP(EA), eV:	-9.0(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-5-(2-iodophenyl)-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(C=C3)OC(=O)C)OC

DOS

IR

Vibrations