Geometry & MOs

Info

ID:

446755

PubChem CID:

135277453

Reduced:

NS2H35C54 (1)

Stoich.:

AB2C35D54 (1)

Weight, g/mol:

731.264671

ΔHf, kcal/mol:

229.01

Dipole, Da:

1.66

IP(EA), eV:

 -7.96(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=C(C5=C(C=C4)C6=CC=CC=C6S5)C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC=CC1=C9SC2=CC=CC=C12

DOS

IR

Vibrations