Geometry & MOs

Info

ID:

314406

PubChem CID:

126621757

Reduced:

NOSH19C34 (1)

Stoich.:

ABCD19E34 (1)

Weight, g/mol:

726.241962

ΔHf, kcal/mol:

124.28

Dipole, Da:

2.97

IP(EA), eV:

 -8.14(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-[4-(9-phenylcarbazol-3-yl)benzo[h]quinazolin-2-yl]-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC5=C(C=C4)C6=CC=CC=C6S5)C=C7C(=C3)C=CC8=C7C9=CC=CC=C9O8

DOS

IR

Vibrations