Geometry & MOs

Info

ID:

434958

PubChem CID:

135176059

Reduced:

ClFO3N5C27H27 (1)

Stoich.:

ABC3D5E27F27 (1)

Weight, g/mol:

614.22377

ΔHf, kcal/mol:

-83.83

Dipole, Da:

1.86

IP(EA), eV:

 -9.27(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3-(3-amino-8-bicyclo[3.2.1]octanyl)-1,1-difluoro-3-oxo-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-4-(cyclopentylmethoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

CC12CCCC[C@@H]1N3C4=NC(=C(C=C4C(=NC3=O)N5CCN(CC5)C(=O)C=C)Cl)C6=C(O2)C=CC=C6F

DOS

IR

Vibrations