Geometry & MOs

Info

ID:	187673
PubChem CID:	77607024
Reduced:	O9C16H22 (1)
Stoich.:	A9B16C22 (1)
Weight, g/mol:	547.20063
ΔH_f, kcal/mol:	-388.35
Dipole, Da:	4.32
IP(EA), eV:	-9.75(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-fluorophenoxy)-4-[4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethoxy]-2-methylphenyl]phenyl] hydrogen carbonate

Drug info:

PubChemData

Smile

CCCOC(=O)C1=C(C=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O

DOS

IR

Vibrations