Geometry & MOs

Info

ID:

446754

PubChem CID:

135277447

Reduced:

NOH39C60 (1)

Stoich.:

ABC39D60 (1)

Weight, g/mol:

761.221092

ΔHf, kcal/mol:

217.84

Dipole, Da:

1.71

IP(EA), eV:

 -7.98(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C=CC4=C3OC5=CC=CC=C45)C6=CC=C(C=C6)N(C7=CC=C(C=C7)C8=CC=CC=C8)C9=CC1=C(C=C9)C2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations