Geometry & MOs

Info

ID:	145058
PubChem CID:	53453370
Reduced:	ON3C25H25 (1)
Stoich.:	AB3C25D25 (1)
Weight, g/mol:	398.081067
ΔH_f, kcal/mol:	57.54
Dipole, Da:	3.9
IP(EA), eV:	-8.62(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[[2-(4-ethylanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]-2-methoxy-6-nitrophenolate

Drug info:

PubChemData

Smile

CN1CCC2(CC1)N3C(C=C(N3)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6O2

DOS

IR

Vibrations