Geometry & MOs

Info

ID:	86841
PubChem CID:	49889626
Reduced:	ClFNSO3H17C24 (1)
Stoich.:	ABCDE3F17G24 (1)
Weight, g/mol:	541.03587
ΔH_f, kcal/mol:	-87.82
Dipole, Da:	4.79
IP(EA), eV:	-9.15(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations