Geometry & MOs

Info

ID:	54843
PubChem CID:	17389389
Reduced:	OBr2H20C22 (1)
Stoich.:	AB2C20D22 (1)
Weight, g/mol:	247.077933
ΔH_f, kcal/mol:	23.97
Dipole, Da:	4.9
IP(EA), eV:	-9.45(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2E)-2-[(4-ethylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCC1C/C(=C/C2=CC(=CC=C2)Br)/C(=O)/C(=C\C3=CC(=CC=C3)Br)/C1

DOS

IR

Vibrations