Geometry & MOs

Info

ID:	57175
PubChem CID:	22395430
Reduced:	FO6C18H21 (1)
Stoich.:	AB6C18D21 (1)
Weight, g/mol:	384.138445
ΔH_f, kcal/mol:	-274.82
Dipole, Da:	1.47
IP(EA), eV:	-9.37(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1,3-difluoro-2-[4-hydroxy-2,6-bis(hydroxymethyl)phenyl]propan-2-yl]-3,5-bis(hydroxymethyl)phenol

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1CO)C(CF)C2=C(C=C(C=C2CO)O)CO)CO)O

DOS

IR

Vibrations