Geometry & MOs

Info

ID:	417724
PubChem CID:	135102606
Reduced:	FN2O3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	371.140259
ΔH_f, kcal/mol:	-96.83
Dipole, Da:	7.94
IP(EA), eV:	-8.56(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-hydroxy-1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)CCOC3=CC=C(C=C3)F

DOS

IR

Vibrations