Geometry & MOs

Info

ID:	44985
PubChem CID:	10507007
Reduced:	ClO12H17C26 (1)
Stoich.:	AB12C17D26 (1)
Weight, g/mol:	556.143485
ΔH_f, kcal/mol:	-384.63
Dipole, Da:	6.8
IP(EA), eV:	-9.18(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,4-diphenyl-6-propylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide;perchlorate

Drug info:

PubChemData

Smile

COC1=CC(=O)C2=C(C1=O)C(=C3C(=C2O)CC4(O3)CC(C5=C(O4)C(=C6C(=C5)C=C(OC6=O)C(=O)OC)O)Cl)O

DOS

IR

Vibrations