Geometry & MOs

Info

ID:

436913

PubChem CID:

135212902

Reduced:

SO3N4C29H42 (1)

Stoich.:

AB3C4D29E42 (1)

Weight, g/mol:

512.282112

ΔHf, kcal/mol:

-82.37

Dipole, Da:

3.99

IP(EA), eV:

 -8.92(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(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

CC1=C(C(=CC=C1)C2=CC=C(C=C2)C3[C@@H]4CN(CCCCN4[C@@H]3CO)S(=O)(=O)C5CCNN5C(C)C)C

DOS

IR

Vibrations