Geometry & MOs

Info

ID:	84747
PubChem CID:	49869612
Reduced:	SO3N7C17H19 (1)
Stoich.:	AB3C7D17E19 (1)
Weight, g/mol:	430.441276
ΔH_f, kcal/mol:	-7.2
Dipole, Da:	1.15
IP(EA), eV:	-8.81(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-methyl-pentacosa-10,12-diynylazanium

Drug info:

PubChemData

Smile

C1CC12CN(CCN2C(=O)C3=CC(=CN3)S(=O)(=O)N)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations