Geometry & MOs

Info

ID:

188494

PubChem CID:

77723742

Reduced:

ClSN2O7C33H39 (1)

Stoich.:

ABC2D7E33F39 (1)

Weight, g/mol:

579.240307

ΔHf, kcal/mol:

-283.92

Dipole, Da:

8.57

IP(EA), eV:

 -9.64(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-benzhydryl-5-[[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]methylamino]-1-azabicyclo[2.2.2]octan-2-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CC(C)N(CC(C3=CC(=CC=C3)Cl)OC(=O)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations