Geometry & MOs

Info

ID:

314476

PubChem CID:

126621885

Reduced:

OSN2H32C54 (1)

Stoich.:

ABC2D32E54 (1)

Weight, g/mol:

731.239519

ΔHf, kcal/mol:

210.12

Dipole, Da:

2.54

IP(EA), eV:

 -7.96(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-dibenzothiophen-2-yl-2-[7-methyl-8-(2-methylphenyl)benzo[b]carbazol-5-yl]phenanthro[9,10-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=C2C(=C(N=C1C3=CC=C(C=C3)N4C5=C(C=C6C=CC7=C(C6=C5)SC8=C7C=CC9=CC=CC=C98)C1=C4C3=CC=CC=C3C=C1)C1=CC=CC=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations