Geometry & MOs

Info

ID:	86796
PubChem CID:	49889355
Reduced:	FN2S2O7H17C24 (1)
Stoich.:	AB2C2D7E17F24 (1)
Weight, g/mol:	417.068237
ΔH_f, kcal/mol:	-169.12
Dipole, Da:	6.9
IP(EA), eV:	-9.32(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F)[N+](=O)[O-]

DOS

IR

Vibrations