Geometry & MOs

Info

ID:	421321
PubChem CID:	135115781
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	327.114044
ΔH_f, kcal/mol:	-41.4
Dipole, Da:	4.39
IP(EA), eV:	-9.6(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CCCN(CC2)C(=O)C3=CN=C(N=C3)C4CC4

DOS

IR

Vibrations