Geometry & MOs

Info

ID:	294935
PubChem CID:	117506137
Reduced:	SCl2F3O3H7C9 (1)
Stoich.:	AB2C3D3E7F9 (1)
Weight, g/mol:	321.9953
ΔH_f, kcal/mol:	-271.73
Dipole, Da:	2.37
IP(EA), eV:	-10.11(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1C(F)(F)F)Cl)CS(=O)(=O)Cl

DOS

IR

Vibrations