Geometry & MOs

Info

ID:	87844
PubChem CID:	49897893
Reduced:	FSN3O3H20C27 (1)
Stoich.:	ABC3D3E20F27 (1)
Weight, g/mol:	499.064507
ΔH_f, kcal/mol:	-62.99
Dipole, Da:	8.18
IP(EA), eV:	-8.78(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)F)/SC2=O

DOS

IR

Vibrations