Geometry & MOs

Info

ID:	278223
PubChem CID:	103834183
Reduced:	ClSN2O3C12H13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	292.088164
ΔH_f, kcal/mol:	-76.33
Dipole, Da:	3.72
IP(EA), eV:	-9.82(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-quinolin-5-ylsulfonylpyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)S(=O)(=O)C2=CC(=C(C=C2)C#N)Cl)CO

DOS

IR

Vibrations