Geometry & MOs

Info

ID:	269559
PubChem CID:	103617954
Reduced:	BrSN3O3H10C11 (1)
Stoich.:	ABC3D3E10F11 (1)
Weight, g/mol:	280.117155
ΔH_f, kcal/mol:	-49.95
Dipole, Da:	4.28
IP(EA), eV:	-9.46(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,6-dimethoxypyrimidin-2-yl)-6-oxopiperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=NC(=N1)NC(=O)C2=C(C=CS2)Br)OC

DOS

IR

Vibrations