Geometry & MOs

Info

ID:

447687

PubChem CID:

135284798

Reduced:

SF3N3O3C22H24 (1)

Stoich.:

AB3C3D3E22F24 (1)

Weight, g/mol:

586.296677

ΔHf, kcal/mol:

-246.37

Dipole, Da:

6.01

IP(EA), eV:

 -9.02(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[[1-[(2R)-2-[(2,6-difluorophenyl)carbamoyl]-3,3-dimethyl-2H-indol-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=NC=C2C3=CC(=C(C=C3)OCC(C)(CC(C)C)NC(=O)O)C(F)(F)F

DOS

IR

Vibrations