Geometry & MOs

Info

ID:	87891
PubChem CID:	49898442
Reduced:	ClNS2O6H20C28 (1)
Stoich.:	ABC2D6E20F28 (1)
Weight, g/mol:	463.108959
ΔH_f, kcal/mol:	-133.31
Dipole, Da:	5.11
IP(EA), eV:	-8.75(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,6-dimethoxy-4-[(Z)-[3-(naphthalen-2-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] acetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations