Geometry & MOs

Info

ID:

378722

PubChem CID:

134224817

Reduced:

OSF3N6C18H19 (1)

Stoich.:

ABC3D6E18F19 (1)

Weight, g/mol:

691.208219

ΔHf, kcal/mol:

-94.8

Dipole, Da:

3.23

IP(EA), eV:

 -8.82(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(6-methyl-3-phenanthren-2-ylquinoxalin-2-yl)-18-thia-14-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21,23,25,27-tridecaene

Drug info:

PubChemData

Smile

CSN1CC(C1)(CC(=O)NCC(F)(F)F)N2C=C(C=N2)C3=C4C=CNC4=NC=C3

DOS

IR

Vibrations