Geometry & MOs

Info

ID:	122812
PubChem CID:	50822690
Reduced:	SF3N3O3C21H24 (1)
Stoich.:	AB3C3D3E21F24 (1)
Weight, g/mol:	353.177313
ΔH_f, kcal/mol:	-251.52
Dipole, Da:	5.4
IP(EA), eV:	-9.3(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(benzenesulfonyl)piperidin-4-yl]ethyl]-3-propan-2-ylurea

Drug info:

PubChemData

Smile

C1CN(CCC1CCNC(=O)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations