Geometry & MOs

Info

ID:	445930
PubChem CID:	135269957
Reduced:	BrN2O2C11H17 (1)
Stoich.:	AB2C2D11E17 (1)
Weight, g/mol:	449.16856
ΔH_f, kcal/mol:	-81.99
Dipole, Da:	2.89
IP(EA), eV:	-8.61(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfanylphenyl)pyrazin-2-amine

Drug info:

PubChemData

Smile

CCC(=C)C/C(=C(/C(=O)OC)\N=C(C)Br)/N

DOS

IR

Vibrations