Geometry & MOs

Info

ID:

436914

PubChem CID:

135212910

Reduced:

SO3N4C28H40 (1)

Stoich.:

AB3C4D28E40 (1)

Weight, g/mol:

506.260314

ΔHf, kcal/mol:

-71.52

Dipole, Da:

3.01

IP(EA), eV:

 -8.89(0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8R,9S,10S)-9-[1-methyl-4-(3-methylphenyl)cyclohexa-2,4-dien-1-yl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=CC=C(C=C2)[C@H]3C4CN(CCCCN4C3COC)S(=O)(=O)C5NCCN5C)C

DOS

IR

Vibrations