Geometry & MOs

Info

ID:	86897
PubChem CID:	49889933
Reduced:	ClFINSO5H18C26 (1)
Stoich.:	ABCDEF5G18H26 (1)
Weight, g/mol:	530.97068
ΔH_f, kcal/mol:	-143.32
Dipole, Da:	7.89
IP(EA), eV:	-8.57(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]-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=C(C=C3)F)I)OC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations