Geometry & MOs

Info

ID:	305979
PubChem CID:	124992371
Reduced:	SO2N5C13H17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	297.15896
ΔH_f, kcal/mol:	-4.73
Dipole, Da:	8.27
IP(EA), eV:	-9.36(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC[C@H](C1)C2=NC=C(N=C2)C3=CNN=C3

DOS

IR

Vibrations