Geometry & MOs

Info

ID:	86812
PubChem CID:	49889493
Reduced:	FNSO4H20C21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	588.98562
ΔH_f, kcal/mol:	-155.09
Dipole, Da:	6.37
IP(EA), eV:	-8.69(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-iodo-6-methoxyphenyl] benzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)OCC

DOS

IR

Vibrations