Geometry & MOs

Info

ID:

434734

PubChem CID:

135175596

Reduced:

BrSF2N3O4C33H38 (1)

Stoich.:

ABC2D3E4F33G38 (1)

Weight, g/mol:

689.17345

ΔHf, kcal/mol:

-222.09

Dipole, Da:

6.87

IP(EA), eV:

 -9.36(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(6-bromonaphthalen-2-yl)-1,1-difluoro-3-oxopropan-2-yl]-4-(cyclohexylmethoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC=C(C=C2)S(=O)(=O)N[C@H](C(=O)N3C4CCC3CC(C4)N)C(C5=CC6=C(C=C5)C=C(C=C6)Br)(F)F

DOS

IR

Vibrations