Geometry & MOs

Info

ID:	196157
PubChem CID:	78791099
Reduced:	SN2O3C16H22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	332.135863
ΔH_f, kcal/mol:	-52.39
Dipole, Da:	7.44
IP(EA), eV:	-9.14(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylpiperidin-1-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CCC1CCCCN1C(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations