Geometry & MOs

Info

ID:	87296
PubChem CID:	49893812
Reduced:	ClN2S2O6H17C24 (1)
Stoich.:	AB2C2D6E17F24 (1)
Weight, g/mol:	544.076279
ΔH_f, kcal/mol:	-153.31
Dipole, Da:	5.15
IP(EA), eV:	-8.95(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] naphthalene-2-sulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl)/SC2=O

DOS

IR

Vibrations