Geometry & MOs

Info

ID:

446742

PubChem CID:

135277359

Reduced:

NSH39C57 (1)

Stoich.:

ABC39D57 (1)

Weight, g/mol:

731.264671

ΔHf, kcal/mol:

211.85

Dipole, Da:

0.23

IP(EA), eV:

 -7.9(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=C(C6=C(C=C5)C7=CC=CC=C7S6)C8=CC=CC=C8)C9=CC1=C(C=C9)C2=CC=CC=C2C2=CC=CC=C21)C

DOS

IR

Vibrations