Geometry & MOs

Info

ID:	57010
PubChem CID:	22395216
Reduced:	FN2O7H29C30 (1)
Stoich.:	AB2C7D29E30 (1)
Weight, g/mol:	305.876543
ΔH_f, kcal/mol:	-249.16
Dipole, Da:	7.06
IP(EA), eV:	-8.92(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[hydroxy(phosphonoperoxy)phosphinothioyl]oxy dihydrogen phosphate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3OC)C(C4C(CC(O4)N5C=C(C(=O)NC5=O)F)O)O

DOS

IR

Vibrations