Geometry & MOs

Info

ID:	357539
PubChem CID:	127294202
Reduced:	S2N3O4C13H23 (1)
Stoich.:	A2B3C4D13E23 (1)
Weight, g/mol:	332.097683
ΔH_f, kcal/mol:	-184.9
Dipole, Da:	7.77
IP(EA), eV:	-8.54(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyrazol-1-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCCC1C(=O)NCCS(=O)(=O)N2CCSCC2

DOS

IR

Vibrations