Geometry & MOs

Info

ID:

315553

PubChem CID:

126627612

Reduced:

SN3H33C53 (1)

Stoich.:

AB3C33D53 (1)

Weight, g/mol:

655.208219

ΔHf, kcal/mol:

250.98

Dipole, Da:

1.31

IP(EA), eV:

 -8.03(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-phenyl-11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=C2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC=C8)C9=CC=CC=C93)C1=CC=CC2=C1SC1=CC=CC=C21

DOS

IR

Vibrations