Geometry & MOs

Info

ID:

436367

PubChem CID:

135199392

Reduced:

NH24C27 (2)

Stoich.:

AB24C27 (2)

Weight, g/mol:

425.257751

ΔHf, kcal/mol:

151.44

Dipole, Da:

3.87

IP(EA), eV:

 -7.76(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3S)-4-ethyl-3-(4-fluoro-2-methoxyphenyl)hexan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=C(N(C6=CC=CC=C65)C7=CC=CC=C7)C(C)(C)C)C8=CC9=C(C=C8)C1=CC=CC=C1C9(C)C)C

DOS

IR

Vibrations