Geometry & MOs

Info

ID:	78337
PubChem CID:	49688395
Reduced:	ClSN3O3C14H20 (1)
Stoich.:	ABC3D3E14F20 (1)
Weight, g/mol:	371.151492
ΔH_f, kcal/mol:	-128.5
Dipole, Da:	1.94
IP(EA), eV:	-8.81(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethoxyphenyl)-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(CC1)CNC(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations