Geometry & MOs

Info

ID:	159672
PubChem CID:	57288610
Reduced:	S2N3O3C19H23 (1)
Stoich.:	A2B3C3D19E23 (1)
Weight, g/mol:	397.225308
ΔH_f, kcal/mol:	-68.17
Dipole, Da:	4.24
IP(EA), eV:	-8.7(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2,4-dibenzyl-5-(3-hydroxypropylamino)-5-oxopentanoate

Drug info:

PubChemData

Smile

CNC(=O)NC1=CC=CC(=C1)C2=CC=C(S2)[C@]3(CCCCS3)CC(=O)NO

DOS

IR

Vibrations