Geometry & MOs

Info

ID:

45205

PubChem CID:

10509311

Reduced:

O14C39H64 (1)

Stoich.:

A14B39C64 (1)

Weight, g/mol:

757.444821

ΔHf, kcal/mol:

-680.83

Dipole, Da:

6.53

IP(EA), eV:

 -9.79(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(C[C@@H]([C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)C)C)O[C@]18CCC(CO8)C

DOS

IR

Vibrations