Geometry & MOs

Info

ID:

324678

PubChem CID:

126678121

Reduced:

OSN2H28C48 (1)

Stoich.:

ABC2D28E48 (1)

Weight, g/mol:

739.262363

ΔHf, kcal/mol:

191.66

Dipole, Da:

1.58

IP(EA), eV:

 -8.03(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15,24-diphenyl-12-(9-phenylcarbazol-3-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=C2C=C(C=C4)C5=CC6=C(C=C5)SC7=CC=CC=C76)C8=C(C=C3)C9=C(N8C1=CC=CC=C1)C=CC1=C9OC2=CC=CC=C12

DOS

IR

Vibrations