Geometry & MOs

Info

ID:	414323
PubChem CID:	135087279
Reduced:	ClNSO6C13H16 (1)
Stoich.:	ABCD6E13F16 (1)
Weight, g/mol:	327.104148
ΔH_f, kcal/mol:	-241.36
Dipole, Da:	4.62
IP(EA), eV:	-9.72(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[C@@H]([C@@H](C2)O)C(=O)O)Cl

DOS

IR

Vibrations