Geometry & MOs

Info

ID:	230083
PubChem CID:	87570082
Reduced:	FS2O3N6H15C17 (1)
Stoich.:	AB2C3D6E15F17 (1)
Weight, g/mol:	441.215138
ΔH_f, kcal/mol:	-56.63
Dipole, Da:	4.29
IP(EA), eV:	-9.3(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-5-[4-[(E)-1-(4-phenoxyphenyl)ethylideneamino]oxybutyl]-1,3-dioxane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)C3=NC(=CS3)CN4C=NC=N4)F)CNC(=O)S

DOS

IR

Vibrations