Geometry & MOs

Info

ID:	78799
PubChem CID:	49732001
Reduced:	SN2O3H24C26 (1)
Stoich.:	AB2C3D24E26 (1)
Weight, g/mol:	454.156243
ΔH_f, kcal/mol:	-32.49
Dipole, Da:	4.61
IP(EA), eV:	-8.7(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,4-dimethoxyphenyl)-1-[4-[(5-methoxy-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)SC(=N2)OC3CCN(CC3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

DOS

IR

Vibrations