Geometry & MOs

Info

ID:

80886

PubChem CID:

49846730

Reduced:

F3N3O3H20C21 (1)

Stoich.:

A3B3C3D20E21 (1)

Weight, g/mol:

977.603527

ΔHf, kcal/mol:

-182.12

Dipole, Da:

2.31

IP(EA), eV:

 -9.48(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-(2-methoxyethoxy)ethoxy]ethyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-4-phenyl-3-[[(2S)-4,4,4-trideuterio-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]-3,3-bis(trideuteriomethyl)butanoyl]amino]butyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@H](C1=NC=C(C=C1)OCC(F)(F)F)NC(=O)[C@H]2C[C@@H]2COC3=CC=C(C=C3)C#N

DOS

IR

Vibrations