Geometry & MOs

Info

ID:

437226

PubChem CID:

135216213

Reduced:

OSH52C86 (1)

Stoich.:

ABC52D86 (1)

Weight, g/mol:

502.175522

ΔHf, kcal/mol:

392.41

Dipole, Da:

3.13

IP(EA), eV:

 -7.94(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethenyl-8-(10-phenylanthracen-9-yl)-3-[(Z)-prop-1-enyl]dibenzothiophene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC=CC(=C5)C6=CC7=C(C=C6)SC8=C7C=CC9=C8C=CC=C9C1=CC2=CC3C(C=C2C=C1)C1=C(O3)C=CC(=C1)C1=C2C=CC=CC2=C(C2=CC=CC=C21)C1=CC2=C(C=CC3=CC=CC=C32)C=C1

DOS

IR

Vibrations