Geometry & MOs

Info

ID:	355245
PubChem CID:	127288177
Reduced:	SO3N4H14C17 (1)
Stoich.:	AB3C4D14E17 (1)
Weight, g/mol:	256.096026
ΔH_f, kcal/mol:	-26.46
Dipole, Da:	6.6
IP(EA), eV:	-8.85(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylpyrimidin-4-yl)-3-(5-methyl-1,3-oxazol-4-yl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CC1=C(N=CO1)C(=O)C(C#N)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

DOS

IR

Vibrations