Geometry & MOs

Info

ID:	86682
PubChem CID:	49888496
Reduced:	SN2Cl3O3H25C28 (1)
Stoich.:	AB2C3D3E25F28 (1)
Weight, g/mol:	513.020449
ΔH_f, kcal/mol:	-81.0
Dipole, Da:	10.04
IP(EA), eV:	-8.4(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-chloro-6-methoxyphenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC(=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl)OCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations