Geometry & MOs

Info

ID:

436362

PubChem CID:

135199343

Reduced:

ON4H40C49 (1)

Stoich.:

AB4C40D49 (1)

Weight, g/mol:

490.21153

ΔHf, kcal/mol:

194.13

Dipole, Da:

6.19

IP(EA), eV:

 -8.41(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3S)-3-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-yl] (2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1C=CC(=CC1/C=C(\C=NC)/C2=CC=CC(=C2)CC3=C(C4=C(C=C3)C5=CC=CC=C5O4)C6=CC=CC=C6NC)C7=C8C=CC9=C(C8=NC=C7)N=CC=C9

DOS

IR

Vibrations