Geometry & MOs

Info

ID:

316840

PubChem CID:

126631853

Reduced:

NH27C36 (1)

Stoich.:

AB27C36 (1)

Weight, g/mol:

463.139471

ΔHf, kcal/mol:

120.99

Dipole, Da:

2.64

IP(EA), eV:

 -7.96(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-dibenzothiophen-3-yl-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC=CC5=C4N(C6=C5C7=CC=CC=C7C8=CC=CC=C86)C)C

DOS

IR

Vibrations