Geometry & MOs

Info

ID:	183339
PubChem CID:	77009844
Reduced:	FO2N3H10C13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	352.98336
ΔH_f, kcal/mol:	-12.14
Dipole, Da:	5.07
IP(EA), eV:	-8.82(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-6-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazolidin-5-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2NC(=C3C(=O)C=CC=N3)ON2)F

DOS

IR

Vibrations