Geometry & MOs

Info

ID:

324988

PubChem CID:

126679088

Reduced:

ON5H41C57 (1)

Stoich.:

AB5C41D57 (1)

Weight, g/mol:

809.315461

ΔHf, kcal/mol:

246.79

Dipole, Da:

4.81

IP(EA), eV:

 -7.9(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-[3-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]phenyl]-15-phenyl-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)C2NC(NC(N2)C3=CC=CC(=C3)C4=CC=C(C=C4)N5C6=C(C7=CC=CC=C75)C8=C(C=C6)C9=C(N8C1=CC=CC=C1)C=CC1=C9OC2=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations