Geometry & MOs

Info

ID:	37104
PubChem CID:	8016934
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	372.069927
ΔH_f, kcal/mol:	-35.83
Dipole, Da:	2.69
IP(EA), eV:	-9.06(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone

Drug info:

PubChemData

Smile

C[C@@H](C1CC1)N2C(=CC=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C

DOS

IR

Vibrations