Geometry & MOs

Info

ID:	445872
PubChem CID:	135269849
Reduced:	O2F3N5H16C20 (1)
Stoich.:	A2B3C5D16E20 (1)
Weight, g/mol:	444.214803
ΔH_f, kcal/mol:	-109.74
Dipole, Da:	3.71
IP(EA), eV:	-8.71(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-[2-[4-(2,3-dihydroxypropoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CN1C(OC(=N1)C2=CC=CC=C2)C3=NC(=CN=C3N)C4=CC(=CC=C4)OC(F)(F)F

DOS

IR

Vibrations