Geometry & MOs

Info

ID:	86534
PubChem CID:	49886746
Reduced:	NSCl2O4H21C26 (1)
Stoich.:	ABC2D4E21F26 (1)
Weight, g/mol:	453.00343
ΔH_f, kcal/mol:	-87.23
Dipole, Da:	4.68
IP(EA), eV:	-8.55(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3)OCC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations