Geometry & MOs

Info

ID:	289574
PubChem CID:	104359513
Reduced:	BrClSO2N4C12H14 (1)
Stoich.:	ABCD2E4F12G14 (1)
Weight, g/mol:	348.99497
ΔH_f, kcal/mol:	-19.38
Dipole, Da:	5.62
IP(EA), eV:	-10.01(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=NN=C1S(=O)(=O)N)C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations