Geometry & MOs

Info

ID:	242723
PubChem CID:	99205877
Reduced:	SO3N4C16H24 (1)
Stoich.:	AB3C4D16E24 (1)
Weight, g/mol:	361.091869
ΔH_f, kcal/mol:	-73.38
Dipole, Da:	5.54
IP(EA), eV:	-8.86(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,3-benzothiazol-2-yl)propyl]-2-pyridin-2-ylethanesulfonamide

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)N[C@@H](C1=CC(=CC=C1)OC)C2=NC=CN2C

DOS

IR

Vibrations