Geometry & MOs

Info

ID:	194343
PubChem CID:	78518407
Reduced:	FN3O5C21H26 (1)
Stoich.:	AB3C5D21E26 (1)
Weight, g/mol:	414.04699
ΔH_f, kcal/mol:	-256.07
Dipole, Da:	7.33
IP(EA), eV:	-9.06(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-[5-[(2,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-methylbenzoate

Drug info:

PubChemData

Smile

CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)OCC(=O)NC3=CC=C(C=C3)F)(C)C

DOS

IR

Vibrations