Geometry & MOs

Info

ID:	369000
PubChem CID:	127331104
Reduced:	OSN4C12H18 (1)
Stoich.:	ABC4D12E18 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-9.51
Dipole, Da:	3.12
IP(EA), eV:	-8.6(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(2-oxopiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CN(CC1=NC=CN=C1)C(=O)NC2CCSCC2

DOS

IR

Vibrations