Geometry & MOs

Info

ID:

436353

PubChem CID:

135199319

Reduced:

FNO5C24H36 (1)

Stoich.:

ABC5D24E36 (1)

Weight, g/mol:

516.263565

ΔHf, kcal/mol:

-305.89

Dipole, Da:

5.62

IP(EA), eV:

 -9.15(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1CCCCC1)C2=C(C=C(C=C2)F)OC)OC(=O)[C@H](C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations