Geometry & MOs

Info

ID:	87138
PubChem CID:	49892616
Reduced:	SCl2N3O4H15C22 (1)
Stoich.:	AB2C3D4E15F22 (1)
Weight, g/mol:	541.12452
ΔH_f, kcal/mol:	-10.83
Dipole, Da:	3.95
IP(EA), eV:	-9.04(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-(1-adamantyl)-2-ethoxyphenyl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C=CC=C2/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations