Geometry & MOs

Info

ID:	87936
PubChem CID:	49898789
Reduced:	ClNSO4H18C28 (1)
Stoich.:	ABCD4E18F28 (1)
Weight, g/mol:	522.116877
ΔH_f, kcal/mol:	-58.09
Dipole, Da:	3.62
IP(EA), eV:	-8.84(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)/C(=C/C4=CC(=CC=C4)OC(=O)C5=CC(=CC=C5)Cl)/SC3=O

DOS

IR

Vibrations