Geometry & MOs

Info

ID:	227835
PubChem CID:	87562641
Reduced:	ClO2H9C17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	301.052112
ΔH_f, kcal/mol:	-30.42
Dipole, Da:	6.8
IP(EA), eV:	-9.04(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(isoindole-2-carbonylamino)-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4C(=O)O)Cl)C=C2

DOS

IR

Vibrations