Geometry & MOs

Info

ID:	87862
PubChem CID:	49898069
Reduced:	NSCl2O4H21C25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	577.94695
ΔH_f, kcal/mol:	-115.62
Dipole, Da:	7.3
IP(EA), eV:	-8.56(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylidene]-3-[(2,6-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)C=CC(=C2/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=CC=C4Cl)Cl)OCC

DOS

IR

Vibrations