Geometry & MOs

Info

ID:	277506
PubChem CID:	103829075
Reduced:	SN3O3C14H19 (1)
Stoich.:	AB3C3D14E19 (1)
Weight, g/mol:	371.96248
ΔH_f, kcal/mol:	-81.52
Dipole, Da:	2.9
IP(EA), eV:	-9.4(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)S(=O)(=O)N2CCOC(C2)C(C)N

DOS

IR

Vibrations