Geometry & MOs

Info

ID:	318423
PubChem CID:	126651339
Reduced:	O2N3C12H16 (2)
Stoich.:	A2B3C12D16 (2)
Weight, g/mol:	559.119634
ΔH_f, kcal/mol:	-129.64
Dipole, Da:	11.14
IP(EA), eV:	-8.67(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-4-(trifluoromethoxy)butanoate

Drug info:

PubChemData

Smile

CC1=NC2=C(N1CCN(/C(=N\C(=O)OC(C)(C)C)/NC(=O)O)C(C)(C)C)C3=CC=CC=C3N=C2

DOS

IR

Vibrations