Geometry & MOs

Info

ID:

439446

PubChem CID:

135229220

Reduced:

O3H15C20 (4)

Stoich.:

A3B15C20 (4)

Weight, g/mol:

717.50405

ΔHf, kcal/mol:

-64.29

Dipole, Da:

3.76

IP(EA), eV:

 -8.7(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[1-[[(3S,4R,5R)-1-[(2R)-2-[(1S,2S)-3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide

Drug info:

PubChemData

Smile

C=CC(=O)OC1=CC=C(C=C1)C2=CC(C=C2)C(C3=CC=C(C=C3)C4=CC=C(C=C4)C(C/C=C(\C=C/C#C)/C5=CC=C(C=C5)OC(=O)C=C)C6=C(C=CC(=C6)C7=CC=C(C=C7)OC(=O)C=C)OC(=O)C=C)C8=C(C=CC(=C8)C9=CC=C(C=C9)OC(=O)C=C)OC(=O)C=C

DOS

IR

Vibrations