Geometry & MOs

Info

ID:

435942

PubChem CID:

135192912

Reduced:

ClFOSN3C19H19 (1)

Stoich.:

ABCDE3F19G19 (1)

Weight, g/mol:

652.262697

ΔHf, kcal/mol:

-1.94

Dipole, Da:

1.71

IP(EA), eV:

 -8.5(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,12-diazahexacyclo[17.8.0.02,11.03,8.013,18.021,26]heptacosa-1(27),3,5,7,10,13,15,17,19,21,23,25-dodecaene

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)N=C(N2C[C@@H]3C[C@@]3(C2)C4=C(C=C(C=C4)F)Cl)SC

DOS

IR

Vibrations