Geometry & MOs

Info

ID:	421861
PubChem CID:	135116738
Reduced:	SN3O4C14H21 (1)
Stoich.:	AB3C4D14E21 (1)
Weight, g/mol:	307.189592
ΔH_f, kcal/mol:	-145.62
Dipole, Da:	2.4
IP(EA), eV:	-9.79(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-hydroxy-3-propyl-1-(5-propylpyrimidin-2-yl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations