Geometry & MOs

Info

ID:	122811
PubChem CID:	50822689
Reduced:	SN3O5C22H29 (1)
Stoich.:	AB3C5D22E29 (1)
Weight, g/mol:	455.149047
ΔH_f, kcal/mol:	-175.58
Dipole, Da:	6.09
IP(EA), eV:	-8.77(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(benzenesulfonyl)piperidin-4-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)NCCC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC

DOS

IR

Vibrations