Geometry & MOs

Info

ID:	79461
PubChem CID:	49754959
Reduced:	F3O3N5C15H18 (1)
Stoich.:	A3B3C5D15E18 (1)
Weight, g/mol:	391.131425
ΔH_f, kcal/mol:	-244.91
Dipole, Da:	3.52
IP(EA), eV:	-9.68(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-oxothiolan-3-yl)-N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]oxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C(=O)NCC(F)(F)F)C(=O)C2=NC=CN=C2

DOS

IR

Vibrations