Geometry & MOs

Info

ID:

80872

PubChem CID:

49846702

Reduced:

FS2N6O6C36H41 (1)

Stoich.:

AB2C6D6E36F41 (1)

Weight, g/mol:

718.260725

ΔHf, kcal/mol:

-204.12

Dipole, Da:

7.08

IP(EA), eV:

 -9.02(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[3-(2-cyanophenyl)sulfonyl-3,9-diazaspiro[5.5]undecane-9-carbonyl]-1H-benzimidazol-2-yl]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1S(=O)(=O)N(C)C(C)C2=NC3=C(C=CC=C3N2)C(=O)N4CCC5(CC4)CCN(CC5)S(=O)(=O)C6=CC(=C(C=C6)F)C#N)C)OC

DOS

IR

Vibrations