Geometry & MOs

Info

ID:	244204
PubChem CID:	99319355
Reduced:	SF2N3O5C23H27 (1)
Stoich.:	AB2C3D5E23F27 (1)
Weight, g/mol:	473.212613
ΔH_f, kcal/mol:	-260.17
Dipole, Da:	3.15
IP(EA), eV:	-9.41(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoyl]amino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCCNC(=O)C2=C(C=C(C=C2)F)F)S(=O)(=O)N3CCCCCC3

DOS

IR

Vibrations