Geometry & MOs

Info

ID:	357821
PubChem CID:	127294664
Reduced:	S2N4O4C11H20 (1)
Stoich.:	A2B4C4D11E20 (1)
Weight, g/mol:	363.165034
ΔH_f, kcal/mol:	-173.04
Dipole, Da:	5.39
IP(EA), eV:	-8.77(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cycloheptyl-1-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)urea

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)C(=O)NCCS(=O)(=O)N2CCSCC2

DOS

IR

Vibrations