Geometry & MOs

Info

ID:	427726
PubChem CID:	135161729
Reduced:	ClSO2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	378.069063
ΔH_f, kcal/mol:	-117.44
Dipole, Da:	4.63
IP(EA), eV:	-8.53(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-1,3-dioxane

Drug info:

PubChemData

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CC(C)[C@@H]([C@@]12[C@@H](CCCC1=O)C(=CS2)CCCl)O

DOS

IR

Vibrations