Geometry & MOs

Info

ID:	139158
PubChem CID:	52483666
Reduced:	ClFN2O4H20C22 (1)
Stoich.:	ABC2D4E20F22 (1)
Weight, g/mol:	339.161663
ΔH_f, kcal/mol:	-181.74
Dipole, Da:	5.13
IP(EA), eV:	-9.17(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C2=CC=CC=C2N3[C@@]1(CCC3=O)C(=O)OCC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations