Geometry & MOs

Info

ID:	327767
PubChem CID:	126691025
Reduced:	SN3O3F6C16H17 (1)
Stoich.:	AB3C3D6E16F17 (1)
Weight, g/mol:	622.256668
ΔH_f, kcal/mol:	-420.02
Dipole, Da:	7.37
IP(EA), eV:	-8.52(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[8-[dimethoxy(phenyl)methyl]-7-ethoxynaphthalen-2-yl]oxy-2-[2-(2-hydroxyphenyl)-1,3-dioxepan-2-yl]phenol

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)SN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations