Geometry & MOs

Info

ID:	36484
PubChem CID:	8007414
Reduced:	NSF2O4H11C14 (1)
Stoich.:	ABC2D4E11F14 (1)
Weight, g/mol:	408.981658
ΔH_f, kcal/mol:	-198.86
Dipole, Da:	6.13
IP(EA), eV:	-9.03(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[[(5R)-5-(2,5-dichloroanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1S(=O)(=O)NC2=C(C=CC(=C2)F)F

DOS

IR

Vibrations