Geometry & MOs

Info

ID:	140673
PubChem CID:	52740447
Reduced:	SF2N2O4C20H22 (1)
Stoich.:	AB2C2D4E20F22 (1)
Weight, g/mol:	466.173785
ΔH_f, kcal/mol:	-198.23
Dipole, Da:	4.32
IP(EA), eV:	-9.4(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)N[C@@H](C)COC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations