Geometry & MOs

Info

ID:	445634
PubChem CID:	135268697
Reduced:	ClN3O4C23H30 (1)
Stoich.:	AB3C4D23E30 (1)
Weight, g/mol:	466.049679
ΔH_f, kcal/mol:	-177.12
Dipole, Da:	5.32
IP(EA), eV:	-9.22(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[4-chloro-2-(4-fluoro-2-methylphenoxy)benzoyl]amino]-2-oxopyridin-1-yl]methyl dihydrogen phosphite

Drug info:

PubChemData

Smile

CCN1C2=C(CCC(C(=N2)OC(C)C)CC3=CC=C(C=C3)Cl)C(=O)N(C1=O)CCCO

DOS

IR

Vibrations