Geometry & MOs

Info

ID:	86853
PubChem CID:	49889725
Reduced:	ClFNSO4H21C26 (1)
Stoich.:	ABCDE4F21G26 (1)
Weight, g/mol:	524.9907
ΔH_f, kcal/mol:	-129.95
Dipole, Da:	6.75
IP(EA), eV:	-8.73(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-fluorophenyl)methyl]-5-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F)OC

DOS

IR

Vibrations