Geometry & MOs

Info

ID:	436611
PubChem CID:	135206080
Reduced:	ClF3N6O6H24C27 (1)
Stoich.:	AB3C6D6E24F27 (1)
Weight, g/mol:	488.171414
ΔH_f, kcal/mol:	-267.85
Dipole, Da:	6.89
IP(EA), eV:	-9.03(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-[5-chloro-2-(3-methyl-1,2-oxazol-5-yl)phenyl]-5-methoxy-2-oxopyridin-1-yl]-4-methoxybutanoate

Drug info:

PubChemData

Smile

CNC(=O)C1=NC=C(C=C1)NC(=O)C(CCOC)N2C=C(C(=CC2=O)C3=C(C=CC(=C3)Cl)C4=NN=C(O4)C(F)(F)F)OC

DOS

IR

Vibrations