Geometry & MOs

Info

ID:

80871

PubChem CID:

49846701

Reduced:

F2S2N5O6C35H41 (1)

Stoich.:

A2B2C5D6E35F41 (1)

Weight, g/mol:

736.251304

ΔHf, kcal/mol:

-287.02

Dipole, Da:

3.84

IP(EA), eV:

 -9.02(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[3-(3-cyano-4-fluorophenyl)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=C(C=C(C=C6)F)F)C)OC

DOS

IR

Vibrations