Geometry & MOs

Info

ID:	192350
PubChem CID:	78259701
Reduced:	NO6H16C20 (1)
Stoich.:	AB6C16D20 (1)
Weight, g/mol:	489.034567
ΔH_f, kcal/mol:	-115.45
Dipole, Da:	5.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.786283
Charge, e:	-1

Chem-info

IUPAC name:

3-[5-[[3-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC2=CC=C(C=C2)C(=O)[O-])C(=O)N1CC3=CC=CO3)C(=O)OC

DOS

IR

Vibrations