Geometry & MOs

Info

ID:

329591

PubChem CID:

126738735

Reduced:

NC11H13 (3)

Stoich.:

AB11C13 (3)

Weight, g/mol:

689.472749

ΔHf, kcal/mol:

93.59

Dipole, Da:

6.11

IP(EA), eV:

 -7.97(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-[[(3S,4R)-4-hydroxy-6-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-2-methyl-6-oxohexan-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1N3CCC(CC3)N4CCCCC4)C(C5=C(C2=C)C6=C(N5)C=C(C=C6)C#C)(C)C

DOS

IR

Vibrations