Geometry & MOs

Info

ID:	86613
PubChem CID:	49887630
Reduced:	ClNS2O6H18C24 (1)
Stoich.:	ABC2D6E18F24 (1)
Weight, g/mol:	439.028121
ΔH_f, kcal/mol:	-152.29
Dipole, Da:	3.66
IP(EA), eV:	-8.84(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] furan-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl)OS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations