Geometry & MOs

Info

ID:	138987
PubChem CID:	52455296
Reduced:	BrNOC19H22 (1)
Stoich.:	ABCD19E22 (1)
Weight, g/mol:	419.211687
ΔH_f, kcal/mol:	-16.83
Dipole, Da:	3.97
IP(EA), eV:	-9.47(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[6-(diethylamino)pyridin-1-ium-3-yl]methyl]-3-(diethylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC1=CC=CC=C1)C(=O)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations