Geometry & MOs

Info

ID:	318409
PubChem CID:	126651151
Reduced:	BrClFNC6H8 (1)
Stoich.:	ABCDE6F8 (1)
Weight, g/mol:	666.170426
ΔH_f, kcal/mol:	-38.87
Dipole, Da:	2.69
IP(EA), eV:	-9.46(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxopyridin-1-yl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]imidazo[1,2-a]pyridin-2-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

C1CNCC1(C#CBr)F.Cl

DOS

IR

Vibrations