Geometry & MOs

Info

ID:

427805

PubChem CID:

135163173

Reduced:

NSH25C42 (1)

Stoich.:

ABC25D42 (1)

Weight, g/mol:

753.223869

ΔHf, kcal/mol:

186.87

Dipole, Da:

3.16

IP(EA), eV:

 -7.98(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-dibenzothiophen-2-yl-9-(4-naphthalen-2-ylquinazolin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C5=CC=CC=C5C6=C4C7=CC=CC=C7C(=C6)C8=CC9=C(C=C8)SC1=CC=CC=C19

DOS

IR

Vibrations