Geometry & MOs

Info

ID:

297667

PubChem CID:

117625177

Reduced:

O2N6C55H90 (1)

Stoich.:

A2B6C55D90 (1)

Weight, g/mol:

656.192235

ΔHf, kcal/mol:

-102.58

Dipole, Da:

7.39

IP(EA), eV:

 -7.94(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[2-[2-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

CCCCC(CC)CN(CC(CC)CCCC)C1=CC(=C(C=C1)N=C2C(=C(C3=NC(=NN32)C(CC)CCCC)C(=O)OC4C(CC(CC4C(C)(C)C)C)C(C)(C)C)C#N)C(C)CC

DOS

IR

Vibrations