Geometry & MOs

Info

ID:

297908

PubChem CID:

117636446

Reduced:

NO4C8H15 (1)

Stoich.:

AB4C8D15 (1)

Weight, g/mol:

875.448779

ΔHf, kcal/mol:

-194.09

Dipole, Da:

0.72

IP(EA), eV:

-10.0(-0.06)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

16-[[(1S)-1-carboxy-4-[[(2S)-3-hydroxy-1-[[(2S)-3-hydroxy-1-[[2-[[(2S)-3-hydroxy-1-[[(2S)-3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutyl]amino]-16-oxohexadecanoic acid

Drug info:

PubChemData

Smile

C[C@@H](CO)C(=O)N[C@@H](CO)C(=O)C

DOS

IR

Vibrations