Geometry & MOs

Info

ID:

80892

PubChem CID:

49846802

Reduced:

O2N5C17H22 (2)

Stoich.:

A2B5C17D22 (2)

Weight, g/mol:

977.603527

ΔHf, kcal/mol:

-86.77

Dipole, Da:

6.76

IP(EA), eV:

 -8.34(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)N(C)C3=NC=C(C=C3)C4=CC5=C(C=C4)N=C(N5)C6CCCN6C(=O)C(C)N)NC(=O)OC

DOS

IR

Vibrations