Geometry & MOs

Info

ID:

173431

PubChem CID:

75637060

Reduced:

SO2N4H23C24 (1)

Stoich.:

AB2C4D23E24 (1)

Weight, g/mol:

311.150801

ΔHf, kcal/mol:

32.61

Dipole, Da:

9.68

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.185709

Charge, e:

 1

Chem-info

IUPAC name:

(4-ethoxy-6-oxo-1,3,5-triazinan-2-ylidene)-diphenylazanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC[NH+]2C(=CC(=O)N=C2SCC(=O)NC3=CC=CC4=CC=CC=C43)N

DOS

IR

Vibrations