Geometry & MOs

Info

ID:	415923
PubChem CID:	135088925
Reduced:	ON4C18H26 (1)
Stoich.:	AB4C18D26 (1)
Weight, g/mol:	355.145344
ΔH_f, kcal/mol:	-10.74
Dipole, Da:	3.61
IP(EA), eV:	-8.83(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C#N)N2CC[C@]3(CCCN([C@@H]3C2)C)CO)C

DOS

IR

Vibrations