Geometry & MOs

Info

ID:	325691
PubChem CID:	126684514
Reduced:	FCl2N2O2C19H21 (1)
Stoich.:	AB2C2D2E19F21 (1)
Weight, g/mol:	498.148841
ΔH_f, kcal/mol:	-122.93
Dipole, Da:	4.05
IP(EA), eV:	-9.41(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,4R)-2-amino-5-[2-chloro-4-(5-chloro-2-fluorophenyl)phenyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations