Geometry & MOs

Info

ID:	325120
PubChem CID:	126680981
Reduced:	ClOSN3C18H24 (1)
Stoich.:	ABCD3E18F24 (1)
Weight, g/mol:	504.09717
ΔH_f, kcal/mol:	4.95
Dipole, Da:	2.1
IP(EA), eV:	-8.74(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCSCCC(=O)C(CC)C1=CN(N=C1Cl)C2=CN=CC=C2

DOS

IR

Vibrations