Geometry & MOs

Info

ID:	54844
PubChem CID:	17389390
Reduced:	OSN3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	305.083413
ΔH_f, kcal/mol:	29.45
Dipole, Da:	3.4
IP(EA), eV:	-9.09(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2E)-2-[(4-ethylphenyl)methylidene]hydrazinyl]-4-oxo-1,3-thiazol-5-yl]acetic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)/C=N/NC2=NC(=O)CS2

DOS

IR

Vibrations