Geometry & MOs

Info

ID:	185763
PubChem CID:	77344758
Reduced:	SN4O5C12H16 (1)
Stoich.:	AB4C5D12E16 (1)
Weight, g/mol:	540.265143
ΔH_f, kcal/mol:	-151.58
Dipole, Da:	8.61
IP(EA), eV:	-10.6(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluorophenyl]-5-prop-1-enyl-1,3-dioxane

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)N1C(=O)C2C(=NC1=O)N=CN2S(=O)(=O)C

DOS

IR

Vibrations