Geometry & MOs

Info

ID:	224947
PubChem CID:	85735093
Reduced:	ClFNO3H17C18 (1)
Stoich.:	ABCD3E17F18 (1)
Weight, g/mol:	401.119399
ΔH_f, kcal/mol:	-140.52
Dipole, Da:	1.38
IP(EA), eV:	-9.57(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-phenoxyphenyl)methyl 2-amino-3-(4-fluorophenyl)propanoate;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C(CC2=CC=C(C=C2)F)NC(=O)CCl

DOS

IR

Vibrations