Geometry & MOs

Info

ID:

436922

PubChem CID:

135212953

Reduced:

FSO3N4C28H39 (1)

Stoich.:

ABC3D4E28F39 (1)

Weight, g/mol:

512.282112

ΔHf, kcal/mol:

-137.85

Dipole, Da:

3.39

IP(EA), eV:

 -9.0(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8R,9S)-9-[4-(2,3-dimethylphenyl)phenyl]-10-(methoxymethyl)-6-(1-methylimidazolidin-2-yl)sulfonyl-1,6-diazabicyclo[6.2.0]decane

Drug info:

PubChemData

Smile

CC1NCC(N1C)S(=O)(=O)N2CCCCN3C(C2)[C@@H](C3CO)C4=CC=C(C=C4)C5=C(C(=C(C=C5)F)C)C

DOS

IR

Vibrations