Geometry & MOs

Info

ID:	345408
PubChem CID:	127269708
Reduced:	SN3O3C12H23 (1)
Stoich.:	AB3C3D12E23 (1)
Weight, g/mol:	393.208613
ΔH_f, kcal/mol:	-149.64
Dipole, Da:	5.11
IP(EA), eV:	-8.86(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzylpiperidin-3-yl)-3-(1,1-dioxothiolan-3-yl)-1-propylurea

Drug info:

PubChemData

Smile

CN1CCC(CC1)CNC(=O)NC2CCS(=O)(=O)C2

DOS

IR

Vibrations