Geometry & MOs

Info

ID:	421586
PubChem CID:	135116266
Reduced:	FNO4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	392.140593
ΔH_f, kcal/mol:	-231.62
Dipole, Da:	3.11
IP(EA), eV:	-9.22(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)C(=O)CC3=CC(=C(C=C3)O)F)O

DOS

IR

Vibrations