Geometry & MOs

Info

ID:	182250
PubChem CID:	76864575
Reduced:	SN3O3C13H19 (1)
Stoich.:	AB3C3D13E19 (1)
Weight, g/mol:	294.103814
ΔH_f, kcal/mol:	-76.66
Dipole, Da:	3.4
IP(EA), eV:	-8.83(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]piperidin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC1C(CNN1)S(=O)(=O)NCC2CC3=CC=CC=C3O2

DOS

IR

Vibrations