Geometry & MOs

Info

ID:

327828

PubChem CID:

126691124

Reduced:

S2N3H31C45 (1)

Stoich.:

A2B3C31D45 (1)

Weight, g/mol:

725.275236

ΔHf, kcal/mol:

225.57

Dipole, Da:

0.65

IP(EA), eV:

 -8.02(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[10-(4-methoxyphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine

Drug info:

PubChemData

Smile

C/C=C\C1=C(C=C(C=C1)N(C2=CC=C(C=C2)C3=CN=C(C=C3)C4=CC=CC5=C4SC6=CC=CC=C56)C7=CC8=C(C=C7)SC9=CC=CC=C98)N=C

DOS

IR

Vibrations