Geometry & MOs

Info

ID:

434563

PubChem CID:

135175230

Reduced:

ClSF2N3O7C37H46 (1)

Stoich.:

ABC2D3E7F37G46 (1)

Weight, g/mol:

477.205083

ΔHf, kcal/mol:

-398.5

Dipole, Da:

12.25

IP(EA), eV:

 -8.6(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[8-[2-amino-3,3-difluoro-3-[4-(trifluoromethyl)phenyl]propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC(=C1)C(C(C(=O)N2CCC(CC2)NC(=O)OC(C)(C)C)NS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)OC5CCCC5)(F)F)Cl

DOS

IR

Vibrations