Geometry & MOs

Info

ID:	418500
PubChem CID:	135105322
Reduced:	ON5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	347.086115
ΔH_f, kcal/mol:	-15.68
Dipole, Da:	8.03
IP(EA), eV:	-8.68(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-hydroxy-1-(4-methylthiophen-2-yl)sulfonyl-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NC(=C(N1)C)CN(CCO)CC2=CN=C(N2)C

DOS

IR

Vibrations