Geometry & MOs

Info

ID:	349763
PubChem CID:	127276155
Reduced:	ClSO2N3C19H24 (1)
Stoich.:	ABC2D3E19F24 (1)
Weight, g/mol:	337.236542
ΔH_f, kcal/mol:	-64.49
Dipole, Da:	5.05
IP(EA), eV:	-8.73(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[1-(oxane-3-carbonyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

C1CSCC1(CNC(=O)CC2=CNC3=C2C=CC(=C3)Cl)N4CCOCC4

DOS

IR

Vibrations