Geometry & MOs

Info

ID:	87950
PubChem CID:	49898907
Reduced:	NSCl2O3H13C21 (1)
Stoich.:	ABC2D3E13F21 (1)
Weight, g/mol:	565.042057
ΔH_f, kcal/mol:	-58.91
Dipole, Da:	1.66
IP(EA), eV:	-9.01(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C4=CC(=C(C(=C4)Cl)O)Cl)/SC3=O

DOS

IR

Vibrations