Geometry & MOs

Info

ID:	187162
PubChem CID:	77537317
Reduced:	BrSN2O3H7C13 (1)
Stoich.:	ABC2D3E7F13 (1)
Weight, g/mol:	578.141103
ΔH_f, kcal/mol:	-18.92
Dipole, Da:	7.63
IP(EA), eV:	-9.78(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2,2-difluorobutoxy-[4-methyl-2-[6-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-5-yl]methyl]naphthalen-1-yl]-1,2,4-oxadiazolidin-5-one

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=CN=C3C(C(=O)C(=CC3=N2)Br)C(=O)O

DOS

IR

Vibrations