Geometry & MOs

Info

ID:

431520

PubChem CID:

135171601

Reduced:

SN2O2H32C58 (1)

Stoich.:

AB2C2D32E58 (1)

Weight, g/mol:

876.190521

ΔHf, kcal/mol:

207.48

Dipole, Da:

1.58

IP(EA), eV:

 -8.03(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC9=C(C=C8)OC1=CC2=C(C=C19)C1=C(O2)C=CC2=C1SC1=CC=CC=C21)C1=CC=CC=C13

DOS

IR

Vibrations