Geometry & MOs

Info

ID:	227514
PubChem CID:	87561897
Reduced:	ClNO5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	343.099063
ΔH_f, kcal/mol:	-144.8
Dipole, Da:	5.49
IP(EA), eV:	-8.37(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3Z)-3-[(hydroxyamino)methylidene]-7-methylindol-5-yl]-4-methyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1CN2CCOCC2)O)C(C=C=O)C3=CC=C(C=C3)Cl)OC

DOS

IR

Vibrations