Geometry & MOs

Info

ID:	44546
PubChem CID:	10503983
Reduced:	F2N2O4C25H26 (1)
Stoich.:	A2B2C4D25E26 (1)
Weight, g/mol:	456.214803
ΔH_f, kcal/mol:	-231.08
Dipole, Da:	9.06
IP(EA), eV:	-8.85(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[[(1R,2S,6S,7R,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]oxy]phenyl]phenyl]ethanol

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=CC(=C3O2)F)F)NC(=O)C(C)(C)C

DOS

IR

Vibrations