Geometry & MOs

Info

ID:	184116
PubChem CID:	77112016
Reduced:	FOSN2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	363.98811
ΔH_f, kcal/mol:	-25.17
Dipole, Da:	5.63
IP(EA), eV:	-8.75(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazolidin-5-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1CC2C(=NC(=NC2=O)CSC3=CC=CC(=C3)F)C1

DOS

IR

Vibrations