Geometry & MOs

Info

ID:	87363
PubChem CID:	49894298
Reduced:	NSCl2O5H19C22 (1)
Stoich.:	ABC2D5E19F22 (1)
Weight, g/mol:	459.114044
ΔH_f, kcal/mol:	-167.56
Dipole, Da:	1.4
IP(EA), eV:	-9.33(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] benzoate

Drug info:

PubChemData

Smile

CCOC(=O)COC1=C(C=C(C=C1Cl)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)C)Cl

DOS

IR

Vibrations