Geometry & MOs

Info

ID:

47292

PubChem CID:

10531275

Reduced:

O4C17H21 (2)

Stoich.:

A4B17C21 (2)

Weight, g/mol:

578.320331

ΔHf, kcal/mol:

-281.38

Dipole, Da:

2.83

IP(EA), eV:

 -9.57(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ditert-butyl (2S)-2-[[(4R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanedioate

Drug info:

PubChemData

Smile

C/C=C/[C@H](OC(=O)[C@@H](OC)C1=CC=CC=C1)[C@H]2O[C@H](CC2)[C@@H]3O[C@@H](CC3)[C@@H](OC(=O)[C@@H](OC)C4=CC=CC=C4)/C=C/C

DOS

IR

Vibrations