Geometry & MOs

Info

ID:

319430

PubChem CID:

126656003

Reduced:

OPN4H31C42 (1)

Stoich.:

ABC4D31E42 (1)

Weight, g/mol:

609.197

ΔHf, kcal/mol:

134.7

Dipole, Da:

5.9

IP(EA), eV:

 -8.24(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-(5-diphenylphosphorylpyridin-2-yl)-13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC3=C2N(C4=C1C=C(C=C4)C5=NC=NC(=N5)C6=CC=C(C=C6)P(=O)(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C39)C

DOS

IR

Vibrations