Geometry & MOs

Info

ID:

436921

PubChem CID:

135212946

Reduced:

O2H15C16 (2)

Stoich.:

A2B15C16 (2)

Weight, g/mol:

530.27269

ΔHf, kcal/mol:

-63.71

Dipole, Da:

3.17

IP(EA), eV:

 -9.04(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(9S)-6-(2,3-dimethylimidazolidin-4-yl)sulfonyl-9-[4-(4-fluoro-2,3-dimethylphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=CC=CC=C1OC2=CC=CC(=C2)CC(C)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

DOS

IR

Vibrations