Geometry & MOs

Info

ID:	155965
PubChem CID:	56368521
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	437.01572
ΔH_f, kcal/mol:	-40.78
Dipole, Da:	3.9
IP(EA), eV:	-9.11(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-oxo-2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)NCC(=O)NCCC2=NN(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations