Geometry & MOs

Info

ID:

448481

PubChem CID:

135291291

Reduced:

NO8C32H55 (1)

Stoich.:

AB8C32D55 (1)

Weight, g/mol:

1265.872668

ΔHf, kcal/mol:

-429.72

Dipole, Da:

4.94

IP(EA), eV:

 -9.76(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E,3S,4R)-N-[(2R)-1-[[2-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2,3-dimethylbutanoyl]-methylamino]-4-methylpentanoyl]amino]butanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloct-6-enamide

Drug info:

PubChemData

Smile

CC1CC(C(OC1C(C)C)(C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)C)C(C)CC3CCC(C(C3)OC)O)O)C

DOS

IR

Vibrations