Geometry & MOs

Info

ID:

379649

PubChem CID:

134453922

Reduced:

PSN3H34C54 (1)

Stoich.:

ABC3D34E54 (1)

Weight, g/mol:

871.27525

ΔHf, kcal/mol:

217.34

Dipole, Da:

6.7

IP(EA), eV:

 -8.65(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-phenanthren-9-yl-14-[6-[phenanthren-2-yl(phenyl)phosphoryl]pyridin-3-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=S)(C2=CC3=C(C=C2)C=C(C=C3)C4=CC5=C(C=C4)N6C7=C(C=CC(=C7)C8=CN=CC=C8)N=C6C9=CC1=CC=CC=C1C=C95)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations