Geometry & MOs

Info

ID:	195190
PubChem CID:	78652837
Reduced:	NS2O5C17H19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	400.067725
ΔH_f, kcal/mol:	-159.95
Dipole, Da:	2.58
IP(EA), eV:	-9.04(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-[5-[(6-methoxynaphthalen-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C=C2C(=O)N(C(=S)S2)CCCCC(=O)O)OC

DOS

IR

Vibrations