Geometry & MOs

Info

ID:	381652
PubChem CID:	134972449
Reduced:	O3H18C23 (1)
Stoich.:	A3B18C23 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-18.99
Dipole, Da:	4.88
IP(EA), eV:	-9.09(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(dimethylamino)pyridin-1-ium-1-yl]-(4-methylphenyl)sulfonylazanide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C\2/C(=O)OC(C(O2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations