Geometry & MOs

Info

ID:	436234
PubChem CID:	135195684
Reduced:	FO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	511.197043
ΔH_f, kcal/mol:	-179.28
Dipole, Da:	3.21
IP(EA), eV:	-9.83(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(1R,2R)-2-(1,3-benzodioxol-5-yloxymethyl)cyclohexyl]-2-fluorophenyl]-N-[(2,6-difluorophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)[C@@H]2CCCC[C@H]2CO)F

DOS

IR

Vibrations