Geometry & MOs

Info

ID:

448037

PubChem CID:

135287868

Reduced:

OF2N6H20C24 (1)

Stoich.:

AB2C6D20E24 (1)

Weight, g/mol:

533.169703

ΔHf, kcal/mol:

50.84

Dipole, Da:

10.17

IP(EA), eV:

 -9.06(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,8R)-5-(2,6-difluorophenyl)-11,11-dimethyl-1-[6-[6-(methylsulfonylmethyl)pyridin-3-yl]pyrazin-2-yl]-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene

Drug info:

PubChemData

Smile

CC1([C@H]2CC[C@]1(C3=NN=C(C=C23)C4=C(C=CC=C4F)F)C5=NC(=NC=C5)N6C=CC(=O)N6)C

DOS

IR

Vibrations