Geometry & MOs

Info

ID:	306671
PubChem CID:	125165251
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	304.153541
ΔH_f, kcal/mol:	-111.17
Dipole, Da:	2.34
IP(EA), eV:	-8.66(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CSC(=N1)C(C)C)OC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations