Geometry & MOs

Info

ID:	421643
PubChem CID:	135116339
Reduced:	SN2O4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	302.130028
ΔH_f, kcal/mol:	-89.75
Dipole, Da:	6.7
IP(EA), eV:	-9.48(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,4R)-4-methoxy-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C4=CC=NO4)C)OCC1

DOS

IR

Vibrations