Geometry & MOs

Info

ID:	415382
PubChem CID:	135088376
Reduced:	O2N7C19H27 (1)
Stoich.:	A2B7C19D27 (1)
Weight, g/mol:	355.145344
ΔH_f, kcal/mol:	-12.47
Dipole, Da:	4.9
IP(EA), eV:	-8.74(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-(4-pentylphenyl)sulfonylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C3=NC(=CN=C3)C(=O)N4CCN(CC4)C

DOS

IR

Vibrations