Geometry & MOs

Info

ID:	305778
PubChem CID:	124968876
Reduced:	ON5C23H33 (1)
Stoich.:	AB5C23D33 (1)
Weight, g/mol:	404.13184
ΔH_f, kcal/mol:	-14.03
Dipole, Da:	6.79
IP(EA), eV:	-8.57(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-fluorophenyl)methyl]-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=NC=C(N1C)C2=NC=C(C=C2)C[C@H]3CCCN(C3)C(=O)C4CCN(CC4)C

DOS

IR

Vibrations