Geometry & MOs

Info

ID:	320334
PubChem CID:	126659559
Reduced:	ClNO3C24H24 (1)
Stoich.:	ABC3D24E24 (1)
Weight, g/mol:	355.214744
ΔH_f, kcal/mol:	-81.12
Dipole, Da:	5.22
IP(EA), eV:	-9.18(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-amino-2-(hydroxymethyl)-5-methyl-5-(4-phenylphenyl)hexanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C(C[C@@H](CC2=CC=C(C=C2)C3=CC(=CC=C3)Cl)N)O

DOS

IR

Vibrations