Geometry & MOs

Info

ID:

314330

PubChem CID:

126621434

Reduced:

SF3O3H17C21 (1)

Stoich.:

AB3C3D17E21 (1)

Weight, g/mol:

687.231063

ΔHf, kcal/mol:

-215.11

Dipole, Da:

3.56

IP(EA), eV:

 -9.03(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-[4-(4-naphthalen-1-ylphenyl)benzo[h]quinazolin-2-yl]-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)OS(=O)(=O)C(F)(F)F)C

DOS

IR

Vibrations