Geometry & MOs

Info

ID:	86958
PubChem CID:	49890247
Reduced:	ClFNSO3H17C24 (1)
Stoich.:	ABCDE3F17G24 (1)
Weight, g/mol:	634.00708
ΔH_f, kcal/mol:	-92.0
Dipole, Da:	4.59
IP(EA), eV:	-9.09(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-ethoxy-5-iodo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations