Geometry & MOs

Info

ID:	253258
PubChem CID:	103117188
Reduced:	SN3O3C10H13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-79.66
Dipole, Da:	9.59
IP(EA), eV:	-8.92(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3,3-dimethyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2CCSCC2C(=O)O

DOS

IR

Vibrations