Geometry & MOs

Info

ID:	157461
PubChem CID:	56430305
Reduced:	N2F3O3C22H25 (1)
Stoich.:	A2B3C3D22E25 (1)
Weight, g/mol:	430.156243
ΔH_f, kcal/mol:	-259.4
Dipole, Da:	3.4
IP(EA), eV:	-9.19(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylphenyl)propanoylamino]ethyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN(C2CCC(CC2)O)C(=O)NC3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations