Geometry & MOs

Info

ID:	419749
PubChem CID:	135108936
Reduced:	SN2O5C15H22 (1)
Stoich.:	AB2C5D15E22 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-184.11
Dipole, Da:	6.77
IP(EA), eV:	-8.86(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]pyridin-4-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations