Geometry & MOs

Info

ID:

431451

PubChem CID:

135171531

Reduced:

NSH15C26 (2)

Stoich.:

ABC15D26 (2)

Weight, g/mol:

664.215078

ΔHf, kcal/mol:

237.92

Dipole, Da:

2.25

IP(EA), eV:

 -8.04(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl)carbazol-3-yl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C6=CC=CC=C64)N(C7=CC=CC=C75)C8=CC9=C(C=C8)SC1=C9C=C3C(=C1)C1=CC=CC=C1S3)C1=CC=CC=C12

DOS

IR

Vibrations