Geometry & MOs

Info

ID:	318446
PubChem CID:	126651384
Reduced:	ON7C16H21 (1)
Stoich.:	AB7C16D21 (1)
Weight, g/mol:	624.185014
ΔH_f, kcal/mol:	40.05
Dipole, Da:	7.12
IP(EA), eV:	-8.15(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxopyridin-1-yl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CCOCC1=NC2=C(N1CCN=C(N)N)C3=CC=CC=C3N=C2N

DOS

IR

Vibrations