Geometry & MOs

Info

ID:	87933
PubChem CID:	49898742
Reduced:	SCl2N4O4H26C28 (1)
Stoich.:	AB2C4D4E26F28 (1)
Weight, g/mol:	489.00343
ΔH_f, kcal/mol:	-31.96
Dipole, Da:	11.11
IP(EA), eV:	-8.82(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C)/C=C\4/C(=O)N(C(=O)S4)CC5=CC(=C(C=C5)Cl)Cl

DOS

IR

Vibrations