Geometry & MOs

Info

ID:	87893
PubChem CID:	49898463
Reduced:	NSCl2O3H19C28 (1)
Stoich.:	ABC2D3E19F28 (1)
Weight, g/mol:	442.135114
ΔH_f, kcal/mol:	-30.54
Dipole, Da:	5.17
IP(EA), eV:	-8.8(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)/C(=C/C4=CC=C(C=C4)OCC5=C(C=CC=C5Cl)Cl)/SC3=O

DOS

IR

Vibrations