Geometry & MOs

Info

ID:	357315
PubChem CID:	127293948
Reduced:	N3S3O5C11H21 (1)
Stoich.:	A3B3C5D11E21 (1)
Weight, g/mol:	364.160283
ΔH_f, kcal/mol:	-222.96
Dipole, Da:	3.89
IP(EA), eV:	-8.77(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-piperidin-1-ylethyl)-3-(2-thiomorpholin-4-ylsulfonylethyl)urea

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1NC(=O)NCCS(=O)(=O)N2CCSCC2

DOS

IR

Vibrations