Geometry & MOs

Info

ID:	278299
PubChem CID:	103834700
Reduced:	ClSN2O5C11H13 (1)
Stoich.:	ABC2D5E11F13 (1)
Weight, g/mol:	292.088164
ΔH_f, kcal/mol:	-125.58
Dipole, Da:	6.95
IP(EA), eV:	-10.18(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(8-methylquinolin-5-yl)sulfonylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)N2CC[C@H](C2)O)[N+](=O)[O-])Cl

DOS

IR

Vibrations