Geometry & MOs

Info

ID:	420471
PubChem CID:	135113320
Reduced:	SN2O5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	308.137222
ΔH_f, kcal/mol:	-201.44
Dipole, Da:	7.4
IP(EA), eV:	-9.24(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3R,4S)-4-carboxy-3-hydroxy-4-propylpiperidin-1-yl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)C(=O)O

DOS

IR

Vibrations