Geometry & MOs

Info

ID:

166413

PubChem CID:

74685742

Reduced:

ClSN3O4H14C15 (1)

Stoich.:

ABC3D4E14F15 (1)

Weight, g/mol:

424.159903

ΔHf, kcal/mol:

-65.4

Dipole, Da:

12.34

IP(EA), eV:

 -8.86(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

benzyl-[10-(benzylamino)-10-sulfanylidene-7,9,11-triaza-2-azonia-10lambda5-phosphatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-ylidene]azanium

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)[NH3+])C(=O)[O-])Cl

DOS

IR

Vibrations