Geometry & MOs

Info

ID:	128469
PubChem CID:	51045594
Reduced:	NO5H15C18 (1)
Stoich.:	AB5C15D18 (1)
Weight, g/mol:	414.124943
ΔH_f, kcal/mol:	-124.83
Dipole, Da:	3.66
IP(EA), eV:	-8.86(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(1,3-benzodioxol-5-yl)-3-(4-piperidin-1-ylsulfonylanilino)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1N/C=C/C(=O)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations