Geometry & MOs

Info

ID:	86530
PubChem CID:	49886663
Reduced:	NSF3O4C12H14 (1)
Stoich.:	ABC3D4E12F14 (1)
Weight, g/mol:	445.098394
ΔH_f, kcal/mol:	-291.11
Dipole, Da:	4.44
IP(EA), eV:	-9.89(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CN(C1=CC(=C(C=C1F)F)F)S(=O)(=O)CC

DOS

IR

Vibrations