Geometry & MOs

Info

ID:	25675
PubChem CID:	628378
Reduced:	ClNF2O3H8C14 (1)
Stoich.:	ABC2D3E8F14 (1)
Weight, g/mol:	370.105253
ΔH_f, kcal/mol:	-161.23
Dipole, Da:	2.41
IP(EA), eV:	-9.28(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]chromen-7-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1N=CC3=C(C=CC(=C3)Cl)O)OC(O2)(F)F

DOS

IR

Vibrations