Geometry & MOs

Info

ID:	218344
PubChem CID:	85089207
Reduced:	BrO7H19C20 (1)
Stoich.:	AB7C19D20 (1)
Weight, g/mol:	453.130102
ΔH_f, kcal/mol:	-241.92
Dipole, Da:	8.06
IP(EA), eV:	-8.57(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-2-oxo-1-phenylethyl)-[[5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphonamidic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC(=C(C=C24)O)O)Br

DOS

IR

Vibrations