Geometry & MOs

Info

ID:	86750
PubChem CID:	49888884
Reduced:	ClISN2O4H18C24 (1)
Stoich.:	ABCD2E4F18G24 (1)
Weight, g/mol:	475.108959
ΔH_f, kcal/mol:	-48.16
Dipole, Da:	2.47
IP(EA), eV:	-8.97(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl)I)OCC4=CC=CC=N4

DOS

IR

Vibrations