Geometry & MOs

Info

ID:	72844
PubChem CID:	48416607
Reduced:	ClSO2N3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	401.206304
ΔH_f, kcal/mol:	-44.69
Dipole, Da:	7.31
IP(EA), eV:	-9.25(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[1-(2-nitrophenyl)piperidine-4-carbonyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C(S2)C3=CC=C(C=C3)Cl)N4CCNC4=O

DOS

IR

Vibrations