Geometry & MOs

Info

ID:	36849
PubChem CID:	8013746
Reduced:	SN2F3O3H15C19 (1)
Stoich.:	AB2C3D3E15F19 (1)
Weight, g/mol:	419.174416
ΔH_f, kcal/mol:	-210.73
Dipole, Da:	4.6
IP(EA), eV:	-9.12(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations