Geometry & MOs

Info

ID:

436335

PubChem CID:

135199102

Reduced:

NH11C18 (3)

Stoich.:

AB11C18 (3)

Weight, g/mol:

476.232265

ΔHf, kcal/mol:

264.81

Dipole, Da:

4.5

IP(EA), eV:

 -8.68(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R)-4-ethyl-3-(4-fluoro-2-methoxyphenyl)hexan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

C1C=CC2=C(C=C3C=CC=NC3=C2N=C1)C4=CC5=C(C=C4)C6=C(C=C(C=C6)C7=CC=C(C=C7)C8=NC9=CC=CC=C9C1=C8C=CC2=CC=CC=C21)C1=CC=CC=C15

DOS

IR

Vibrations