Geometry & MOs

Info

ID:	190260
PubChem CID:	77978384
Reduced:	BrSCl2N4O5H25C26 (1)
Stoich.:	ABC2D4E5F25G26 (1)
Weight, g/mol:	289.117489
ΔH_f, kcal/mol:	-132.61
Dipole, Da:	4.42
IP(EA), eV:	-9.46(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-5,6-dioxo-2-piperidin-2-ylidenepyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCCN1S(=O)(=O)C2=CN=C3N2C(C(=O)N3C4=CC(=CC(=C4)Cl)Cl)(C)C5=CC=C(C=C5)Br

DOS

IR

Vibrations