Geometry & MOs

Info

ID:

434619

PubChem CID:

135175357

Reduced:

BrF2N3O3C21H28 (1)

Stoich.:

AB2C3D3E21F28 (1)

Weight, g/mol:

717.22588

ΔHf, kcal/mol:

-239.55

Dipole, Da:

5.86

IP(EA), eV:

 -9.68(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[8-[3-(4-bromophenyl)-2-[[2-(cyclohexylmethoxy)cyclobutyl]sulfonylamino]-3,3-difluoropropanoyl]-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=C(C=C3)Br)(F)F)N

DOS

IR

Vibrations