Geometry & MOs

Info

ID:	357542
PubChem CID:	127294205
Reduced:	S2N3O4C11H19 (1)
Stoich.:	A2B3C4D11E19 (1)
Weight, g/mol:	360.128983
ΔH_f, kcal/mol:	-177.13
Dipole, Da:	3.52
IP(EA), eV:	-8.65(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-(2-thiomorpholin-4-ylsulfonylethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)NC1C(=O)NCCS(=O)(=O)N2CCSCC2

DOS

IR

Vibrations