Geometry & MOs

Info

ID:	87859
PubChem CID:	49898045
Reduced:	SCl2N2O5H16C24 (1)
Stoich.:	AB2C2D5E16F24 (1)
Weight, g/mol:	518.97687
ΔH_f, kcal/mol:	-50.84
Dipole, Da:	2.75
IP(EA), eV:	-9.22(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(2,6-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])/SC2=O)Cl

DOS

IR

Vibrations