Geometry & MOs

Info

ID:	200567
PubChem CID:	79411371
Reduced:	ClNS2O6C11H14 (1)
Stoich.:	ABC2D6E11F14 (1)
Weight, g/mol:	272.116092
ΔH_f, kcal/mol:	-234.27
Dipole, Da:	2.41
IP(EA), eV:	-10.06(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2C[C@H]([C@H](C2)O)O

DOS

IR

Vibrations