Geometry & MOs

Info

ID:

377346

PubChem CID:

134223394

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

680.192235

ΔHf, kcal/mol:

222.2

Dipole, Da:

2.33

IP(EA), eV:

 -7.96(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-phenyl-2-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-[1]benzofuro[3,2-c]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=CC=C7)C=CC8=C6OC9=CC=CC=C89)C1=C2C=CC2=C1N(C1=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations