Geometry & MOs

Info

ID:	157216
PubChem CID:	56422408
Reduced:	BrNSO3C13H16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	358.135114
ΔH_f, kcal/mol:	-98.89
Dipole, Da:	5.45
IP(EA), eV:	-9.35(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-benzyl-1,3-thiazol-4-yl)-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2OCCO2)C(=O)C3=C(C=CS3)Br

DOS

IR

Vibrations