Geometry & MOs

Info

ID:

446804

PubChem CID:

135277837

Reduced:

O2F3N9H16C22 (1)

Stoich.:

A2B3C9D16E22 (1)

Weight, g/mol:

525.260071

ΔHf, kcal/mol:

-48.9

Dipole, Da:

7.6

IP(EA), eV:

 -9.7(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R)-6-[6-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridin-2-yl]-2-(2-aminoethyl)heptanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=CC(=NC(=N2)N[C@@H](C(=O)O)N)C3=CN(N=N3)CC4=NC(=CC=C4)C(F)(F)F)C#N

DOS

IR

Vibrations