Geometry & MOs

Info

ID:

190271

PubChem CID:

77979480

Reduced:

OF3N7H20C23 (1)

Stoich.:

AB3C7D20E23 (1)

Weight, g/mol:

810.303396

ΔHf, kcal/mol:

-22.91

Dipole, Da:

10.48

IP(EA), eV:

 -9.29(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1,1,1-trifluoro-2-methylpropan-2-yl) N-[18-(6-fluoroquinoxalin-2-yl)oxy-11,13-dimethyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate

Drug info:

PubChemData

Smile

C1CN(CC1N)C(C2=CN3C(=NN=C3C4=NC5=C(C=CC=C5OCC#N)C=C4)C=C2)C(F)(F)F

DOS

IR

Vibrations