Geometry & MOs

Info

ID:

378753

PubChem CID:

134224850

Reduced:

OSN3H25C46 (1)

Stoich.:

ABC3D25E46 (1)

Weight, g/mol:

1094.16943

ΔHf, kcal/mol:

219.37

Dipole, Da:

1.72

IP(EA), eV:

 -8.09(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-[4-[4-bromo-2-[12-[4-(4-bromophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-yl]phenyl]phenyl]-16-azaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3=NC4=C(C5=CC=CC=C5O4)N=C3N6C7=C(C8=CC=CC=C8C=C7)C9=C6C=C1C(=C9)C2=C(S1)C1=CC=CC=C1C=C2

DOS

IR

Vibrations