Geometry & MOs

Info

ID:	319762
PubChem CID:	126657231
Reduced:	ClFNO3H19C20 (1)
Stoich.:	ABCD3E19F20 (1)
Weight, g/mol:	475.212551
ΔH_f, kcal/mol:	-159.44
Dipole, Da:	6.21
IP(EA), eV:	-9.64(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[2-[4-(3-chlorophenyl)phenyl]ethyl]-2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Drug info:

PubChemData

Smile

CC[C@]1(C[C@H](NC1=O)CC2=CC=C(C=C2)C3=C(C=CC(=C3)Cl)F)C(=O)O

DOS

IR

Vibrations