Geometry & MOs

Info

ID:	145457
PubChem CID:	53528099
Reduced:	ClN3O4H16C18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	329.120941
ΔH_f, kcal/mol:	-121.94
Dipole, Da:	6.49
IP(EA), eV:	-8.44(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-5-methylphenyl)-3-(1-methylsulfonylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1NC(=O)CNC2=C(C=C3C(=C2)OCC(=O)N3)Cl

DOS

IR

Vibrations