Geometry & MOs

Info

ID:

434787

PubChem CID:

135175708

Reduced:

ClSF2N3O4C33H38 (1)

Stoich.:

ABC2D3E4F33G38 (1)

Weight, g/mol:

722.13854

ΔHf, kcal/mol:

-227.14

Dipole, Da:

5.54

IP(EA), eV:

 -9.38(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[8-[3-(4-bromophenyl)-3,3-difluoro-2-[[6-(4-fluorophenyl)pyridin-3-yl]sulfonylamino]propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC=C(C=C2)S(=O)(=O)NC(C(=O)N3CCC(CC3)N)C(C4=CC=C(C=C4)C5=CC=C(C=C5)Cl)(F)F

DOS

IR

Vibrations