Geometry & MOs

Info

ID:

434662

PubChem CID:

135175449

Reduced:

F2N3O4C28H35 (1)

Stoich.:

A2B3C4D28E35 (1)

Weight, g/mol:

789.325928

ΔHf, kcal/mol:

-251.3

Dipole, Da:

7.09

IP(EA), eV:

 -9.02(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[8-[2-[(6-cyclopentyloxynaphthalen-2-yl)sulfonyl-methylamino]-3,3-difluoro-3-(3-phenoxyphenyl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)C(C(C3=CC(=CC=C3)OC4=CC=CC=C4)(F)F)NC

DOS

IR

Vibrations