Geometry & MOs

Info

ID:	79570
PubChem CID:	49829538
Reduced:	NF3O3C25H27 (1)
Stoich.:	AB3C3D25E27 (1)
Weight, g/mol:	446.151158
ΔH_f, kcal/mol:	-198.64
Dipole, Da:	2.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.106360
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(3-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-methoxybenzoate

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)C(F)(F)F)[NH2+]CC2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC

DOS

IR

Vibrations