Geometry & MOs

Info

ID:	87955
PubChem CID:	49899023
Reduced:	SN2O5H14C21 (1)
Stoich.:	AB2C5D14E21 (1)
Weight, g/mol:	489.00343
ΔH_f, kcal/mol:	-14.01
Dipole, Da:	5.67
IP(EA), eV:	-9.05(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C=C/C4=CC=C(O4)[N+](=O)[O-])/SC3=O

DOS

IR

Vibrations