Geometry & MOs

Info

ID:	87716
PubChem CID:	49896760
Reduced:	NO2S2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	640.86525
ΔH_f, kcal/mol:	-21.07
Dipole, Da:	2.96
IP(EA), eV:	-9.31(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC=CS3)/SC2=O

DOS

IR

Vibrations