Geometry & MOs

Info

ID:	418465
PubChem CID:	135104978
Reduced:	NO4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	343.072573
ΔH_f, kcal/mol:	-178.42
Dipole, Da:	3.8
IP(EA), eV:	-9.32(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)C(=O)C3=CC(=CC=C3)O)O

DOS

IR

Vibrations