Geometry & MOs

Info

ID:	289622
PubChem CID:	104360903
Reduced:	BrClO3H12C16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	329.048857
ΔH_f, kcal/mol:	-63.05
Dipole, Da:	5.38
IP(EA), eV:	-9.09(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylsulfanyl]-2-formamidobutanoic acid

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2COC3=C(C=C(C=C3)C=O)Cl)Br

DOS

IR

Vibrations