Geometry & MOs

Info

ID:	422034
PubChem CID:	135117047
Reduced:	NSO6C15H21 (1)
Stoich.:	ABC6D15E21 (1)
Weight, g/mol:	371.140055
ΔH_f, kcal/mol:	-248.45
Dipole, Da:	6.23
IP(EA), eV:	-9.62(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,4R)-1-(7-chloro-4-methylquinolin-2-yl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)S(=O)(=O)N2CC[C@@H]([C@@H](C2)O)C(=O)O)OC

DOS

IR

Vibrations