Geometry & MOs

Info

ID:	87931
PubChem CID:	49898732
Reduced:	ClSN3O3H18C27 (1)
Stoich.:	ABC3D3E18F27 (1)
Weight, g/mol:	491.140259
ΔH_f, kcal/mol:	23.89
Dipole, Da:	7.77
IP(EA), eV:	-8.84(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-ethoxy-4-[(Z)-[3-(naphthalen-2-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C4=C/C(=N/NC5=CC(=CC=C5)Cl)/C=CC4=O)/SC3=O

DOS

IR

Vibrations