Geometry & MOs

Info

ID:	122809
PubChem CID:	50822633
Reduced:	SN3O5C24H31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	339.161663
ΔH_f, kcal/mol:	-186.46
Dipole, Da:	6.96
IP(EA), eV:	-8.78(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CC=C(C=C1)NC(=O)NCCC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations