Geometry & MOs

Info

ID:

436907

PubChem CID:

135212813

Reduced:

SN2F3O3C31H35 (1)

Stoich.:

AB2C3D3E31F35 (1)

Weight, g/mol:

517.239913

ΔHf, kcal/mol:

-210.38

Dipole, Da:

4.3

IP(EA), eV:

 -8.97(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z,8R,10S)-9-[4-(2,3-dimethylphenyl)phenyl]-10-(methoxymethyl)-6-(2-methylpyridin-3-yl)sulfonyl-1,6-diazabicyclo[6.2.0]dec-3-ene

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=CC=C(C=C2)C3[C@@H]4CN(CCCCN4[C@@H]3COC)S(=O)(=O)C5=CC=CC=C5C(F)(F)F)C

DOS

IR

Vibrations