Geometry & MOs

Info

ID:	417214
PubChem CID:	135091724
Reduced:	SN2O5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	365.140927
ΔH_f, kcal/mol:	-172.27
Dipole, Da:	6.25
IP(EA), eV:	-9.02(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC(=C(C=C2)OC)CC=C

DOS

IR

Vibrations