Geometry & MOs

Info

ID:	325695
PubChem CID:	126684535
Reduced:	ClFN2O5C20H20 (1)
Stoich.:	ABC2D5E20F20 (1)
Weight, g/mol:	420.197984
ΔH_f, kcal/mol:	-233.88
Dipole, Da:	7.02
IP(EA), eV:	-9.41(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,4S)-4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-[2-(dimethylamino)ethyl]pentanoate

Drug info:

PubChemData

Smile

COC(=O)N[C@H](C[C@@H](CC1=CC=C(C=C1)C2=C(C=CC(=C2)Cl)F)NC=O)C(=O)O

DOS

IR

Vibrations