Geometry & MOs

Info

ID:	143861
PubChem CID:	53271033
Reduced:	ClN3O3C18H18 (1)
Stoich.:	AB3C3D18E18 (1)
Weight, g/mol:	295.033686
ΔH_f, kcal/mol:	-73.88
Dipole, Da:	6.81
IP(EA), eV:	-9.34(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-ethoxyphenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=C(C=NC=C3)C(=O)O

DOS

IR

Vibrations