Geometry & MOs

Info

ID:

315112

PubChem CID:

126624487

Reduced:

N2O10C25H38 (1)

Stoich.:

A2B10C25D38 (1)

Weight, g/mol:

703.488399

ΔHf, kcal/mol:

-440.05

Dipole, Da:

3.62

IP(EA), eV:

 -8.77(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[[(3R)-1-[(2S)-2-[(1R,2R)-3-[2-(2-hydroxyphenyl)ethylamino]-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

CCC(=O)OCC1=CC(=C(C=C1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(=O)NCCCCCNC(C)C

DOS

IR

Vibrations