Geometry & MOs

Info

ID:	311608
PubChem CID:	126595476
Reduced:	PF2O8N11C19H22 (1)
Stoich.:	AB2C8D11E19F22 (1)
Weight, g/mol:	340.094688
ΔH_f, kcal/mol:	-334.86
Dipole, Da:	14.63
IP(EA), eV:	-9.15(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-prop-2-enylchromen-4-one

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(N=N2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)([C@@H]4[C@H]([C@H](O[C@H]4N5C=NC6=C5NC(=NC6=O)N)CO)F)O)O)F)N

DOS

IR

Vibrations