Geometry & MOs

Info

ID:	298874
PubChem CID:	117662319
Reduced:	BrSN2O2C12H13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	391.04192
ΔH_f, kcal/mol:	-21.48
Dipole, Da:	5.21
IP(EA), eV:	-8.99(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[6-[(6-bromopyridin-2-yl)oxymethyl]-2,3-dihydro-1-benzofuran-3-yl]acetate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)ONC1=C(C2=C(S1)C=CC=N2)Br

DOS

IR

Vibrations