Geometry & MOs

Info

ID:

431856

PubChem CID:

135171970

Reduced:

SF3O3N4C26H37 (1)

Stoich.:

AB3C3D4E26F37 (1)

Weight, g/mol:

593.21435

ΔHf, kcal/mol:

-254.91

Dipole, Da:

6.84

IP(EA), eV:

 -8.89(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(3-fluoranthen-8-ylphenyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

Drug info:

PubChemData

Smile

CCC(C)CN(C1CCC(CC1)OC)C2=C(C=C(C=C2)[C@H](C)CC(=O)OC)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations