Geometry & MOs

Info

ID:	177048
PubChem CID:	76130278
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	565.315186
ΔH_f, kcal/mol:	-112.17
Dipole, Da:	2.96
IP(EA), eV:	-9.26(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-4-oxo-3-(phenylmethoxycarbonylamino)-4-[1-[(2,2,5,5-tetramethylcyclopentanecarbonyl)amino]propylamino]butanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C(CCCCN)N(C(=O)OCC2=CC=CC=C2)N

DOS

IR

Vibrations