Geometry & MOs

Info

ID:

309823

PubChem CID:

126560904

Reduced:

ClON3H14C18 (1)

Stoich.:

ABC3D14E18 (1)

Weight, g/mol:

914.522988

ΔHf, kcal/mol:

69.83

Dipole, Da:

6.78

IP(EA), eV:

 -9.01(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-1-[[(1S)-1-[6-[4-[2-[(1S)-1-[[(2R)-2-(dimethylcarbamoyloxy)-4-fluoro-2,3,3-trimethylbutanoyl]amino]-2,2-dimethylpropyl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]-2,2-dimethylpropyl]amino]-4-fluoro-2,3,3-trimethyl-1-oxobutan-2-yl] N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)C(=C(C(=N2)Cl)C3=CC=CC=C3)C4=CN(N=C4)C

DOS

IR

Vibrations