Geometry & MOs

Info

ID:	88022
PubChem CID:	49900006
Reduced:	SCl2N3O4H13C21 (1)
Stoich.:	AB2C3D4E13F21 (1)
Weight, g/mol:	509.202465
ΔH_f, kcal/mol:	-5.13
Dipole, Da:	4.08
IP(EA), eV:	-9.42(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-(1-adamantyl)-2-methoxyphenyl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CN(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations