Geometry & MOs

Info

ID:	87081
PubChem CID:	49891695
Reduced:	FSN2O3H13C22 (1)
Stoich.:	ABC2D3E13F22 (1)
Weight, g/mol:	463.088972
ΔH_f, kcal/mol:	-38.6
Dipole, Da:	3.15
IP(EA), eV:	-9.16(-1.75)
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-methoxyphenyl] benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC=CC=C4C#N)/SC2=O)F

DOS

IR

Vibrations