Geometry & MOs

Info

ID:	44687
PubChem CID:	10505373
Reduced:	SN2O3C29H38 (1)
Stoich.:	AB2C3D29E38 (1)
Weight, g/mol:	494.127836
ΔH_f, kcal/mol:	-117.17
Dipole, Da:	8.96
IP(EA), eV:	-8.56(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]benzenesulfonamide;perchlorate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1C)/C=C/C2=CC(=C3C(=O)N(C(=S)N(C3=O)CC)CC)CC(C2)(C)C)C

DOS

IR

Vibrations