Geometry & MOs

Info

ID:	289575
PubChem CID:	104359583
Reduced:	BrNO4H12C15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	353.95614
ΔH_f, kcal/mol:	-94.43
Dipole, Da:	5.7
IP(EA), eV:	-9.0(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2COC3=C(N=CC=C3)C(=O)O)Br

DOS

IR

Vibrations