Geometry & MOs

Info

ID:

226571

PubChem CID:

87544208

Reduced:

N3O5C29H39 (2)

Stoich.:

A3B5C29D39 (2)

Weight, g/mol:

1016.562293

ΔHf, kcal/mol:

-360.85

Dipole, Da:

10.24

IP(EA), eV:

 -8.8(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S,3S)-3-hydroxy-4-[[(4S)-6-[[(2R)-oxolan-2-yl]methyl]spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-phenylbutan-2-yl]-N'-[(2S,3S)-3-hydroxy-4-[[(4S)-6-[[(2S)-oxolan-2-yl]methyl]spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-phenylbutan-2-yl]-2,3-dimethoxybutanediamide

Drug info:

PubChemData

Smile

COCC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CN[C@H]2CC3(CCC3)OC4=C2C=C(C=N4)C[C@H]5CCCO5)O.COCC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CN[C@H]2CC3(CCC3)OC4=C2C=C(C=N4)C[C@@H]5CCCO5)O

DOS

IR

Vibrations