Geometry & MOs

Info

ID:

166414

PubChem CID:

74685914

Reduced:

PSN6C21H25 (1)

Stoich.:

ABC6D21E25 (1)

Weight, g/mol:

423.152078

ΔHf, kcal/mol:

51.79

Dipole, Da:

8.67

IP(EA), eV:

 -6.57(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

10-N,12-N-dibenzyl-10-sulfanylidene-7,9,11-triaza-2-azonia-10lambda5-phosphatricyclo[6.4.0.02,6]dodeca-1(8),2(6),11-triene-10,12-diamine

Drug info:

PubChemData

Smile

C1CC2=[N+](C1)C3=C(N2)NP(=S)(NC3=[NH+]CC4=CC=CC=C4)NCC5=CC=CC=C5

DOS

IR

Vibrations