Geometry & MOs

Info

ID:	80327
PubChem CID:	49834055
Reduced:	CaO3C11H14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	492.026499
ΔH_f, kcal/mol:	-82.38
Dipole, Da:	1.36
IP(EA), eV:	-5.04(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-3-[6-[2-fluoro-4-(trifluoromethyl)phenyl]pyridin-3-yl]-6-methyl-4-oxo-1H-pyridin-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)O.[Ca+2]

DOS

IR

Vibrations