Geometry & MOs

Info

ID:

377597

PubChem CID:

134223659

Reduced:

ON2H34C51 (1)

Stoich.:

AB2C34D51 (1)

Weight, g/mol:

1343.395018

ΔHf, kcal/mol:

177.61

Dipole, Da:

1.35

IP(EA), eV:

 -7.78(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-phenyl-9-[3-[18-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-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-14-yl]phenyl]-2-(14-phenyl-9-oxa-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[3,2-c]carbazole

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C4=C(C=C2)N(C5=C4C=C(C=C5)C6=CC7=C(C=C6)N(C8=C7C9=C(C=C8)C1=CC=CC=C1O9)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations