Geometry & MOs

Info

ID:	436240
PubChem CID:	135195690
Reduced:	FO5C21H21 (1)
Stoich.:	AB5C21D21 (1)
Weight, g/mol:	525.212693
ΔH_f, kcal/mol:	-208.01
Dipole, Da:	5.56
IP(EA), eV:	-8.52(-1.02)
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-(2,6-difluorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)COC2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)F)C(=O)O

DOS

IR

Vibrations