Geometry & MOs

Info

ID:	445588
PubChem CID:	135268338
Reduced:	FO3N5H22C24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	514.067045
ΔH_f, kcal/mol:	-41.57
Dipole, Da:	13.81
IP(EA), eV:	-8.47(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[2-(2-methyl-4-phosphanylphenoxy)-4-(trifluoromethyl)benzoyl]amino]-2-oxopyridin-1-yl]methyl dihydrogen phosphite

Drug info:

PubChemData

Smile

CN1C(=O)C=CC(=N1)CC2=C/C(=C/3\C4=C(C=C(C=C4)N5CCOCC5)NC=N3)/C(=CC2=O)F

DOS

IR

Vibrations