Geometry & MOs

Info

ID:	314803
PubChem CID:	126623287
Reduced:	FSN3O6H26C27 (1)
Stoich.:	ABC3D6E26F27 (1)
Weight, g/mol:	302.01785
ΔH_f, kcal/mol:	-177.16
Dipole, Da:	8.6
IP(EA), eV:	-9.4(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)C#CC(=O)O)CC(=O)N3C[C@@H](CC3CCNS(=O)(=O)C4=CC=CC=C4)F

DOS

IR

Vibrations