Geometry & MOs

Info

ID:	421280
PubChem CID:	135115687
Reduced:	FSN2O5C15H21 (1)
Stoich.:	ABC2D5E15F21 (1)
Weight, g/mol:	364.211055
ΔH_f, kcal/mol:	-229.91
Dipole, Da:	8.82
IP(EA), eV:	-8.96(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations