Geometry & MOs

Info

ID:	352388
PubChem CID:	127283475
Reduced:	SO2N3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	-44.51
Dipole, Da:	6.52
IP(EA), eV:	-9.23(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]phthalazin-1-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CS2)C(=O)C3CCCN(C3)C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations