Geometry & MOs

Info

ID:

377712

PubChem CID:

134223776

Reduced:

OSN2H28C48 (1)

Stoich.:

ABC2D28E48 (1)

Weight, g/mol:

739.262363

ΔHf, kcal/mol:

194.11

Dipole, Da:

1.0

IP(EA), eV:

 -8.06(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-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-nonaene

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)C8=C(C=C6)C9=CC=CC=C9O8)C1=C2C2=C(C=C1)C1=CC=CC=C1S2

DOS

IR

Vibrations