Geometry & MOs

Info

ID:	78335
PubChem CID:	49688359
Reduced:	ClSN3O4C18H22 (1)
Stoich.:	ABC3D4E18F22 (1)
Weight, g/mol:	339.161663
ΔH_f, kcal/mol:	-108.67
Dipole, Da:	3.93
IP(EA), eV:	-9.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3CCN(CC3)S(=O)(=O)C

DOS

IR

Vibrations