Geometry & MOs

Info

ID:	347774
PubChem CID:	127272836
Reduced:	FSO3N4C18H27 (1)
Stoich.:	ABC3D4E18F27 (1)
Weight, g/mol:	389.231456
ΔH_f, kcal/mol:	-151.51
Dipole, Da:	2.81
IP(EA), eV:	-9.02(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]acetamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CN=CC(=C3)F)C

DOS

IR

Vibrations