Geometry & MOs

Info

ID:	243773
PubChem CID:	99239502
Reduced:	FSN2O5C24H29 (1)
Stoich.:	ABC2D5E24F29 (1)
Weight, g/mol:	476.178121
ΔH_f, kcal/mol:	-229.2
Dipole, Da:	5.03
IP(EA), eV:	-9.24(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(3S)-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)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations