Geometry & MOs

Info

ID:	268221
PubChem CID:	103598449
Reduced:	BrSO2N3H14C15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	328.124549
ΔH_f, kcal/mol:	0.83
Dipole, Da:	1.83
IP(EA), eV:	-9.37(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-1,3-thiazol-4-yl)-1-(4-phenoxypiperidin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CNC(=O)NNC(=O)C=CC1=CC=C(S1)C2=CC(=CC=C2)Br

DOS

IR

Vibrations