Geometry & MOs

Info

ID:	87091
PubChem CID:	49891908
Reduced:	NSF2O4H21C26 (1)
Stoich.:	ABC2D4E21F26 (1)
Weight, g/mol:	588.98562
ΔH_f, kcal/mol:	-139.13
Dipole, Da:	4.91
IP(EA), eV:	-8.99(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3F)OCC4=CC=C(C=C4)F

DOS

IR

Vibrations