Geometry & MOs

Info

ID:

226570

PubChem CID:

87544203

Reduced:

Cl2N3O5H11C16 (1)

Stoich.:

A2B3C5D11E16 (1)

Weight, g/mol:

1018.577943

ΔHf, kcal/mol:

-70.55

Dipole, Da:

2.66

IP(EA), eV:

 -9.24(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S,3R)-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]-2-methoxyacetamide;N-[(2S,3R)-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-methoxyacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=C1Cl)C)Cl)C2=NC(=CO2)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]

DOS

IR

Vibrations