Geometry & MOs

Info

ID:	376361
PubChem CID:	134222372
Reduced:	NO2F7H20C28 (1)
Stoich.:	AB2C7D20E28 (1)
Weight, g/mol:	532.204828
ΔH_f, kcal/mol:	-333.08
Dipole, Da:	9.58
IP(EA), eV:	-9.45(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]cyclohexyl]-5-propyl-1,3-dioxane

Drug info:

PubChemData

Smile

CCCC1=CN=C(C=C1)C2=CC(=C(C=C2)C(OC3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)OCF)F)F)(F)F)F

DOS

IR

Vibrations