Geometry & MOs

Info

ID:

377434

PubChem CID:

134223486

Reduced:

OSN2H28C48 (1)

Stoich.:

ABC2D28E48 (1)

Weight, g/mol:

680.192235

ΔHf, kcal/mol:

188.66

Dipole, Da:

2.47

IP(EA), eV:

 -8.01(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-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-18-yl)-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C7C8=CC=CC=C8OC7=C6)C9=CC=CC=C9)C1=C2C=CC2=C1SC1=CC=CC=C21

DOS

IR

Vibrations