Geometry & MOs

Info

ID:	280249
PubChem CID:	103847996
Reduced:	N2S2O4C13H20 (1)
Stoich.:	A2B2C4D13E20 (1)
Weight, g/mol:	318.070799
ΔH_f, kcal/mol:	-159.21
Dipole, Da:	6.93
IP(EA), eV:	-9.73(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=C(S1)S(=O)(=O)N2CCC[C@@H]2C(=O)OC(C)(C)C

DOS

IR

Vibrations