Geometry & MOs

Info

ID:	87823
PubChem CID:	49897751
Reduced:	SN2O4H22C28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	519.04627
ΔH_f, kcal/mol:	-70.64
Dipole, Da:	5.22
IP(EA), eV:	-8.86(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations