Geometry & MOs

Info

ID:	128815
PubChem CID:	51059316
Reduced:	ClN4O4H21C25 (1)
Stoich.:	AB4C4D21E25 (1)
Weight, g/mol:	487.134797
ΔH_f, kcal/mol:	-26.19
Dipole, Da:	8.33
IP(EA), eV:	-8.7(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[5-[(E)-3-(2-hydroxyphenyl)-1-[2-(4-methylphenyl)sulfonylhydrazinyl]prop-2-enyl]-4-methyl-1,3-thiazol-2-yl]acetohydrazide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(/C(=C\2/C(=O)N=C3C=C(C=CC3=N2)Cl)/NNC(=O)CC4=CC=CC=C4)O

DOS

IR

Vibrations