Geometry & MOs

Info

ID:

230925

PubChem CID:

87572257

Reduced:

SO3F4N4C23H24 (1)

Stoich.:

AB3C4D4E23F24 (1)

Weight, g/mol:

608.256597

ΔHf, kcal/mol:

-207.8

Dipole, Da:

6.73

IP(EA), eV:

 -8.51(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone;dihydrochloride

Drug info:

PubChemData

Smile

CCCN(C)C1=C(C=CC(=N1)C(F)(F)F)/C=C\C(=O)NCC2=CC(=C(C(=C2)F)NS(=O)(=O)C)C#C

DOS

IR

Vibrations