Geometry & MOs

Info

ID:

431583

PubChem CID:

135171671

Reduced:

NSH14C24 (2)

Stoich.:

ABC14D24 (2)

Weight, g/mol:

780.277678

ΔHf, kcal/mol:

222.96

Dipole, Da:

0.88

IP(EA), eV:

 -8.02(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(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)-7,7-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC8=C(C9=CC=CC=C9S8)C1=C7C3=CC=CC=C3S1)C1=CC=CC=C12

DOS

IR

Vibrations