Geometry & MOs

Info

ID:

377625

PubChem CID:

134223689

Reduced:

NO3C19H33 (1)

Stoich.:

AB3C19D33 (1)

Weight, g/mol:

1343.395018

ΔHf, kcal/mol:

-185.7

Dipole, Da:

4.54

IP(EA), eV:

 -9.66(0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-phenyl-10-(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-17-yl)-4-[14-phenyl-17-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-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-11-yl]-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)NC(=O)[C@]1(CC(CCC1C(=C)C)(C)C)C

DOS

IR

Vibrations