Geometry & MOs

Info

ID:

328943

PubChem CID:

126729448

Reduced:

N2H15C22 (2)

Stoich.:

A2B15C22 (2)

Weight, g/mol:

404.060917

ΔHf, kcal/mol:

224.19

Dipole, Da:

6.55

IP(EA), eV:

 -8.71(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-[3-(benzotriazol-1-yl)-1-benzofuran-2-yl]-4-thia-1,2,6-triazabicyclo[3.3.1]nona-2,5,7-trien-3-yl]phosphane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2N=C(NC(=N2)C3=CC(=CC(=C3)C4=CC5=CC=CC=C5C6=CC=CC=C64)C7=CC=CC8=C7N=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations