Geometry & MOs

Info

ID:	434835
PubChem CID:	135175808
Reduced:	F5C27H27 (1)
Stoich.:	A5B27C27 (1)
Weight, g/mol:	456.186751
ΔH_f, kcal/mol:	-212.14
Dipole, Da:	2.74
IP(EA), eV:	-9.18(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-chloro-6-hydroxyphenyl)propyl]-3-fluoro-2-[1-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]phenol

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)CC(C)C2=C(C=CC(=C2F)CC(C)C3=C(C=C(C=C3)F)F)F)F

DOS

IR

Vibrations