Geometry & MOs

Info

ID:	84886
PubChem CID:	49870565
Reduced:	SO2N3H19C25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	837.67261
ΔH_f, kcal/mol:	56.73
Dipole, Da:	8.33
IP(EA), eV:	-7.66(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl-bis(pentacosa-10,12-diynyl)azanium;bromide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NC3=C(NC(=CN3C2=O)C4=CC=CC=C4)SC5=CC=C(C=C5)O

DOS

IR

Vibrations