Geometry & MOs

Info

ID:	357358
PubChem CID:	127293991
Reduced:	S2N3O4C12H21 (1)
Stoich.:	A2B3C4D12E21 (1)
Weight, g/mol:	332.097683
ΔH_f, kcal/mol:	-176.68
Dipole, Da:	4.1
IP(EA), eV:	-8.57(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1CC(CC1=O)C(=O)NCCS(=O)(=O)N2CCSCC2

DOS

IR

Vibrations