Geometry & MOs

Info

ID:	175673
PubChem CID:	75934727
Reduced:	SN2O6C21H30 (1)
Stoich.:	AB2C6D21E30 (1)
Weight, g/mol:	414.161329
ΔH_f, kcal/mol:	-245.82
Dipole, Da:	5.2
IP(EA), eV:	-9.33(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C(=O)N2CCCCC2C3OCCO3)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations