Geometry & MOs

Info

ID:	139105
PubChem CID:	52472921
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	428.141736
ΔH_f, kcal/mol:	-48.6
Dipole, Da:	6.3
IP(EA), eV:	-9.44(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenoxy)-N-[(2R)-1-[(3S)-3-(2-methylsulfonylacetyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1(CCN(CC1)C(=O)N2C=CN=C2)C[C@H]3CC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations