Geometry & MOs

Info

ID:

424240

PubChem CID:

135121874

Reduced:

O7C22H28 (1)

Stoich.:

A7B22C28 (1)

Weight, g/mol:

1879.024371

ΔHf, kcal/mol:

-274.64

Dipole, Da:

9.29

IP(EA), eV:

-10.14(-0.84)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[[(2S)-2-[[[(2S)-5-[2-[[[(2S)-1-[2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-1,5-dihydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-(1-hydroxyethylideneamino)-3-(1H-indol-3-yl)propylidene]amino]-2-methylbutylidene]amino]-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-2-methylpropanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-2-methylpropanoyl]-4-hydroxypyrrolidin-2-yl]-hydroxymethylidene]amino]-2-methylbutanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]acetic acid

Drug info:

PubChemData

Smile

CCC(C)C(=O)OC1C/C(=C\CCC(=CC2C1C(=C)C(=O)O2)COC(=O)C)/C=O

DOS

IR

Vibrations