Geometry & MOs

Info

ID:	83069
PubChem CID:	49857111
Reduced:	FNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	355.158372
ΔH_f, kcal/mol:	-168.67
Dipole, Da:	5.27
IP(EA), eV:	-10.02(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-fluorophenyl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(=O)NC(CC(=O)OC)C1=CC(=CC=C1)F

DOS

IR

Vibrations