Geometry & MOs

Info

ID:	50917
PubChem CID:	12013510
Reduced:	SO3N5H15C19 (1)
Stoich.:	AB3C5D15E19 (1)
Weight, g/mol:	407.105211
ΔH_f, kcal/mol:	59.62
Dipole, Da:	10.38
IP(EA), eV:	-8.48(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5Z)-4-(4-methylphenyl)-5-[(2-oxoindol-3-yl)hydrazinylidene]-1,3,4-thiadiazole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(/C(=N/NC2=C3C=CC=CC3=NC2=O)/S1)C4=CC=CC=C4

DOS

IR

Vibrations