Geometry & MOs

Info

ID:	72604
PubChem CID:	48416352
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	405.147075
ΔH_f, kcal/mol:	-119.96
Dipole, Da:	6.47
IP(EA), eV:	-8.56(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)N2CCCC(C2)N3CCNC3=O)OCC=C

DOS

IR

Vibrations