Geometry & MOs

Info

ID:

314116

PubChem CID:

126620493

Reduced:

N4O15C41H68 (1)

Stoich.:

A4B15C41D68 (1)

Weight, g/mol:

1228.47809

ΔHf, kcal/mol:

-786.91

Dipole, Da:

11.42

IP(EA), eV:

 -10.5(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-[[(5S)-6-[[(2S)-1-iodo-1-oxo-3-(4-phosphonooxyphenyl)propan-2-yl]amino]-5-(methylamino)-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid

Drug info:

PubChemData

Smile

CC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O

DOS

IR

Vibrations