Geometry & MOs

Info

ID:	209553
PubChem CID:	80687537
Reduced:	ClSF2N2H3O4C10 (1)
Stoich.:	ABC2D2E3F4G10 (1)
Weight, g/mol:	329.004405
ΔH_f, kcal/mol:	-91.14
Dipole, Da:	2.61
IP(EA), eV:	-10.02(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-(chloromethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1,3-thiazole

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1F)OC2=NC(=C(S2)C=O)Cl)F)[N+](=O)[O-]

DOS

IR

Vibrations