Geometry & MOs

Info

ID:	78336
PubChem CID:	49688389
Reduced:	SN3O3C16H25 (1)
Stoich.:	AB3C3D16E25 (1)
Weight, g/mol:	345.09139
ΔH_f, kcal/mol:	-133.65
Dipole, Da:	6.9
IP(EA), eV:	-8.51(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NCC2CCN(CC2)S(=O)(=O)C)C

DOS

IR

Vibrations