Geometry & MOs

Info

ID:

325017

PubChem CID:

126679252

Reduced:

SH2C5O5F6 (1)

Stoich.:

AB2C5D5E6 (1)

Weight, g/mol:

698.235814

ΔHf, kcal/mol:

-493.48

Dipole, Da:

2.62

IP(EA), eV:

 -11.57(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-fluoranthen-3-yl-10-(4-phenylphenyl)-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C(=O)C(C(=O)OS(=O)(=O)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations