Geometry & MOs

Info

ID:	169781
PubChem CID:	75146919
Reduced:	OS2N5C15H15 (1)
Stoich.:	AB2C5D15E15 (1)
Weight, g/mol:	392.99603
ΔH_f, kcal/mol:	107.61
Dipole, Da:	6.88
IP(EA), eV:	-8.85(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-bromophenyl)-1,2,4-oxadiazolidin-5-ylidene]-2-methoxy-6-nitrocyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C)C1=CSC(=N1)C2=NNC(=S)N2NC=C3C=CC=CC3=O

DOS

IR

Vibrations