Geometry & MOs

Info

ID:

436360

PubChem CID:

135199341

Reduced:

ON3H31C45 (1)

Stoich.:

AB3C31D45 (1)

Weight, g/mol:

397.226451

ΔHf, kcal/mol:

221.21

Dipole, Da:

3.96

IP(EA), eV:

 -8.78(-1.17)

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-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

C/C(=C\C=C(/C=C)\C1[C@H]2C1C=C(C=C2)C3=NC4=CC=CC=C4C5=C3C=CC6=C5OC7=CC=CC=C67)/C8=C9C=CC1=C(C9=NC=C8)N=CC=C1

DOS

IR

Vibrations