Geometry & MOs

Info

ID:

447079

PubChem CID:

135280099

Reduced:

NH22C29 (2)

Stoich.:

AB22C29 (2)

Weight, g/mol:

489.118735

ΔHf, kcal/mol:

197.35

Dipole, Da:

0.94

IP(EA), eV:

 -7.62(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-dibenzofuran-2-yl-16-thia-1-azahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2,4,6,8(24),9,11,13,15(23),17,19,21-undecaene

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC8=C9C1=C7C=CC=C1C1=CC=CC=C1N9C1=CC=CC=C1C8(C)C)C

DOS

IR

Vibrations