Geometry & MOs

Info

ID:	418160
PubChem CID:	135103732
Reduced:	SN3O4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-110.2
Dipole, Da:	6.32
IP(EA), eV:	-9.47(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-phenylmethoxyethanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations