Geometry & MOs

Info

ID:	421871
PubChem CID:	135116755
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	293.126323
ΔH_f, kcal/mol:	-66.6
Dipole, Da:	6.61
IP(EA), eV:	-8.62(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-(4-hydroxy-3,5-dimethylbenzoyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CCCN(C)C(=O)C2=C3C(=CS2)OCCO3

DOS

IR

Vibrations