Geometry & MOs

Info

ID:	145054
PubChem CID:	53453150
Reduced:	NO3C14H30 (1)
Stoich.:	AB3C14D30 (1)
Weight, g/mol:	403.078624
ΔH_f, kcal/mol:	-153.35
Dipole, Da:	2.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752424
Charge, e:	-1

Chem-info

IUPAC name:

3-[5-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

Drug info:

PubChemData

Smile

C[NH+](C)CC(CCCCCCCCC(=O)OC)O

DOS

IR

Vibrations