Geometry & MOs

Info

ID:	420896
PubChem CID:	135115008
Reduced:	FN4O6C33H37 (1)
Stoich.:	AB4C6D33E37 (1)
Weight, g/mol:	357.124609
ΔH_f, kcal/mol:	-217.9
Dipole, Da:	1.22
IP(EA), eV:	-8.61(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C2C=CC(=C1)C(=O)NCCCN(CCCC(=O)NCC3=C(O2)C=CC=C3F)C(=O)C4=CC=CC=C4N5CCOCC5

DOS

IR

Vibrations