Geometry & MOs

Info

ID:	328570
PubChem CID:	126725274
Reduced:	F5O5H23C27 (1)
Stoich.:	A5B5C23D27 (1)
Weight, g/mol:	514.21425
ΔH_f, kcal/mol:	-392.58
Dipole, Da:	10.1
IP(EA), eV:	-9.63(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[4-(3,4-difluorophenyl)-3-fluorophenoxy]-difluoromethyl]cyclohexyl]-5-methyl-5-propyl-1,3-dioxan-2-ol

Drug info:

PubChemData

Smile

CCCC1(COC(OC1)(C2=CC(=C(C=C2)C(=O)OC3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)F)F)F)F)O)C

DOS

IR

Vibrations