Geometry & MOs

Info

ID:	243772
PubChem CID:	99239494
Reduced:	SF2N2O5C24H28 (1)
Stoich.:	AB2C2D5E24F28 (1)
Weight, g/mol:	476.178121
ΔH_f, kcal/mol:	-276.99
Dipole, Da:	5.52
IP(EA), eV:	-9.22(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]-[(4-methylphenyl)methyl]amino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC1=CC=C(C=C1)C)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

DOS

IR

Vibrations