Geometry & MOs

Info

ID:

297901

PubChem CID:

117636436

Reduced:

O2C10H15 (2)

Stoich.:

A2B10C15 (2)

Weight, g/mol:

766.316719

ΔHf, kcal/mol:

-193.95

Dipole, Da:

7.54

IP(EA), eV:

 -9.54(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-5-[[(2S)-3-hydroxy-1-[[(2S)-3-hydroxy-1-[[2-[[(2S)-3-hydroxy-1-[[(2S)-3-hydroxy-1-oxo-1-[[2-oxo-2-[[(5S)-6-oxo-5-(sulfanylamino)heptyl]amino]ethyl]amino]propan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(=O)CCCCCCCCCCCOC1=CC=C(C=C1)C(=O)O

DOS

IR

Vibrations