Geometry & MOs

Info

ID:	81677
PubChem CID:	49855001
Reduced:	SO2F3N5C20H24 (1)
Stoich.:	AB2C3D5E20F24 (1)
Weight, g/mol:	477.090703
ΔH_f, kcal/mol:	-212.16
Dipole, Da:	5.95
IP(EA), eV:	-9.22(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-but-3-enoxy-2-[4-(5-cyano-1,3,4-oxadiazol-2-yl)phenoxy]-N-(5-fluoro-1,3-thiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCN([C@@H]1C(=O)N)C(=O)NC2=NC(=C(S2)C3=CC(=NC=C3)C(C)(C)C(F)(F)F)C

DOS

IR

Vibrations