Geometry & MOs

Info

ID:	198038
PubChem CID:	79035074
Reduced:	ClNSO3C15H18 (1)
Stoich.:	ABCD3E15F18 (1)
Weight, g/mol:	306.067428
ΔH_f, kcal/mol:	-128.09
Dipole, Da:	2.68
IP(EA), eV:	-9.45(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC[C@@H]1C(=O)O)SC2=CC=C(C=C2)Cl

DOS

IR

Vibrations