Geometry & MOs

Info

ID:	227645
PubChem CID:	87562155
Reduced:	NSO4C16H25 (1)
Stoich.:	ABC4D16E25 (1)
Weight, g/mol:	343.099063
ΔH_f, kcal/mol:	-174.67
Dipole, Da:	2.87
IP(EA), eV:	-8.79(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CC2(CCCCC2)OS(=O)(=O)C)N

DOS

IR

Vibrations