Geometry & MOs

Info

ID:	357816
PubChem CID:	127294659
Reduced:	S2N3O3C12H23 (1)
Stoich.:	A2B3C3D12E23 (1)
Weight, g/mol:	349.149384
ΔH_f, kcal/mol:	-147.24
Dipole, Da:	1.63
IP(EA), eV:	-8.7(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-1-ethyl-3-(2-thiomorpholin-4-ylsulfonylethyl)urea

Drug info:

PubChemData

Smile

CC1CCN(C1)C(=O)NCCS(=O)(=O)N2CCSCC2

DOS

IR

Vibrations