Geometry & MOs

Info

ID:

431580

PubChem CID:

135171668

Reduced:

SN2O2H38C60 (1)

Stoich.:

AB2C2D38E60 (1)

Weight, g/mol:

829.272927

ΔHf, kcal/mol:

200.88

Dipole, Da:

1.58

IP(EA), eV:

 -7.97(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-carbazol-9-yl-6-[9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)carbazol-3-yl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

C1CC(=CC=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC8=C(CC7)SC9=C8C=C(C=C9)C1=CC3=C(C=C1)OC1=C3C3=C(C=C1)C1=CC=CC=C1O3)C1=CC=CC=C12

DOS

IR

Vibrations