Geometry & MOs

Info

ID:

436909

PubChem CID:

135212859

Reduced:

SO3N4C29H40 (1)

Stoich.:

AB3C4D29E40 (1)

Weight, g/mol:

562.191327

ΔHf, kcal/mol:

-29.19

Dipole, Da:

4.77

IP(EA), eV:

 -8.59(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8R,10S)-9-[4-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

Drug info:

PubChemData

Smile

CCCN1C(CCN1)S(=O)(=O)N2C/C=C\CN3[C@@H](C2)C([C@H]3CO)C4=CC=C(C=C4)C5=CC=CC(=C5C)C

DOS

IR

Vibrations