Geometry & MOs

Info

ID:

436374

PubChem CID:

135199506

Reduced:

FN2O7C29H37 (1)

Stoich.:

AB2C7D29E37 (1)

Weight, g/mol:

448.200965

ΔHf, kcal/mol:

-325.01

Dipole, Da:

8.55

IP(EA), eV:

 -8.93(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)[C@H](C2CCCCC2)[C@@H](C)OC(=O)[C@H](C)NC(=O)C3=NC=CC(=C3OCOC(=O)C)OC

DOS

IR

Vibrations