Geometry & MOs

Info

ID:	228274
PubChem CID:	87563789
Reduced:	N3F6H13C19 (1)
Stoich.:	A3B6C13D19 (1)
Weight, g/mol:	664.061807
ΔH_f, kcal/mol:	-234.27
Dipole, Da:	7.42
IP(EA), eV:	-9.94(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[5-(3,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]peroxy-methylphosphoryl]peroxy-4-hydroxyphenyl]-3,7-dihydroxychromen-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=CC(=N2)C3=CC=C(C=C3)C(F)(F)F)CN

DOS

IR

Vibrations