Geometry & MOs

Info

ID:

45187

PubChem CID:

10508967

Reduced:

O3C23H29 (2)

Stoich.:

A3B23C29 (2)

Weight, g/mol:

708.4462

ΔHf, kcal/mol:

-182.2

Dipole, Da:

2.41

IP(EA), eV:

 -9.22(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(5S)-6-(3-cyclooctylpropylamino)-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]amino]-6-oxohexyl]carbamate

Drug info:

PubChemData

Smile

CCCCC(CCCC)C(=C)COC1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations