Geometry & MOs

Info

ID:	87890
PubChem CID:	49898427
Reduced:	NSF3O3H16C26 (1)
Stoich.:	ABC3D3E16F26 (1)
Weight, g/mol:	565.042057
ΔH_f, kcal/mol:	-171.7
Dipole, Da:	1.65
IP(EA), eV:	-8.99(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-6-[(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(O4)C5=CC(=CC=C5)C(F)(F)F)/SC3=O

DOS

IR

Vibrations