Geometry & MOs

Info

ID:

448038

PubChem CID:

135287872

Reduced:

SF2O2N5H25C28 (1)

Stoich.:

AB2C2D5E25F28 (1)

Weight, g/mol:

493.147407

ΔHf, kcal/mol:

-13.69

Dipole, Da:

9.21

IP(EA), eV:

 -9.19(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[(1R,8R)-5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]-5-fluoropyrimidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1([C@H]2CC[C@]1(C3=NN=C(C=C23)C4=C(C=CC=C4F)F)C5=NC(=CN=C5)C6=CN=C(C=C6)CS(=O)(=O)C)C

DOS

IR

Vibrations