Geometry & MOs

Info

ID:	329952
PubChem CID:	127246939
Reduced:	O2S2N4C13H16 (1)
Stoich.:	A2B2C4D13E16 (1)
Weight, g/mol:	316.135782
ΔH_f, kcal/mol:	-1.78
Dipole, Da:	6.08
IP(EA), eV:	-8.8(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations