Geometry & MOs

Info

ID:

327777

PubChem CID:

126691044

Reduced:

SN2H40C56 (1)

Stoich.:

AB2C40D56 (1)

Weight, g/mol:

645.212636

ΔHf, kcal/mol:

224.11

Dipole, Da:

2.44

IP(EA), eV:

 -8.0(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(7,8-dihydrodibenzofuran-4-yl)phenyl]naphthalen-1-amine

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C=CC=C2C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C7=CC=CC=C76)C8=CC9=C(C=C8)N(C1=CC=CC=C19)C1=CC=CC=C1)C

DOS

IR

Vibrations