Geometry & MOs

Info

ID:	432754
PubChem CID:	135172891
Reduced:	NO3H12C16 (2)
Stoich.:	AB3C12D16 (2)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-115.44
Dipole, Da:	0.69
IP(EA), eV:	-9.08(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl (2R)-2-(3-aminopropanoylamino)pentanedioate

Drug info:

PubChemData

Smile

C=C1CC2(C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)CN5C6=CC=CC=C6C7(C5=O)CC(=C)C(=O)O7)OC1=O

DOS

IR

Vibrations