Geometry & MOs

Info

ID:

442540

PubChem CID:

135252775

Reduced:

SN3H18C29 (2)

Stoich.:

AB3C18D29 (2)

Weight, g/mol:

1224.437642

ΔHf, kcal/mol:

340.02

Dipole, Da:

2.74

IP(EA), eV:

 -7.88(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,14-bis[3,5-bis(4-quinazolin-6-ylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NSC(=N2)C3=CC=CC(=C3)C4=CC=C(C=C4)N5C6=C(C7=CC=CC=C75)C8=C(C=C6)N(C9=CC=CC=C98)C1=CC=C(C=C1)C1=CC(=CC=C1)C1=NC(=NS1)C1=CC=CC=C1

DOS

IR

Vibrations