Geometry & MOs

Info

ID:

430338

PubChem CID:

135170402

Reduced:

F2O3N5H19C26 (1)

Stoich.:

A2B3C5D19E26 (1)

Weight, g/mol:

637.357445

ΔHf, kcal/mol:

-52.03

Dipole, Da:

7.23

IP(EA), eV:

 -9.41(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ditert-butyl (2S)-2-[[hydroxy-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoyl]amino]pentanedioate

Drug info:

PubChemData

Smile

CC12CC(=O)N(C(=O)N1CCN(C2=O)C3=CN=NC=C3)C4=C(C=C(C=C4F)C#CC5=CC=CC=C5)F

DOS

IR

Vibrations