Geometry & MOs

Info

ID:	87719
PubChem CID:	49896766
Reduced:	FNSO4H24C27 (1)
Stoich.:	ABCD4E24F27 (1)
Weight, g/mol:	417.043771
ΔH_f, kcal/mol:	-131.56
Dipole, Da:	3.72
IP(EA), eV:	-8.81(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-4-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C)OCC4=CC=CC=C4F

DOS

IR

Vibrations