Geometry & MOs

Info

ID:

434923

PubChem CID:

135176018

Reduced:

BrSF3N3O3H27C28 (1)

Stoich.:

ABC3D3E3F27G28 (1)

Weight, g/mol:

657.223962

ΔHf, kcal/mol:

-113.19

Dipole, Da:

3.78

IP(EA), eV:

 -9.3(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(6-amino-3-azabicyclo[3.1.1]heptan-3-yl)-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-4-(cyclohexylmethoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)C(C(C3=CC=C(C=C3)Br)(F)F)NS(=O)(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)F)N

DOS

IR

Vibrations