Geometry & MOs

Info

ID:

436324

PubChem CID:

135198983

Reduced:

N2H28C35 (1)

Stoich.:

A2B28C35 (1)

Weight, g/mol:

741.223869

ΔHf, kcal/mol:

204.13

Dipole, Da:

4.07

IP(EA), eV:

 -8.16(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[5-[6-(1,10-phenanthrolin-4-yl)pyren-1-yl]cyclohexa-1,5-dien-1-yl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

Drug info:

PubChemData

Smile

C1CC2=CCC=CC3=CC=C4C(C23)C1CC=C4C5=CN=C6C(=C5)C=CC7=C6N=C(C=C7)C8=CC=CC=C8

DOS

IR

Vibrations