Geometry & MOs

Info

ID:	396781
PubChem CID:	135029211
Reduced:	OSH6C9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	303.95466
ΔH_f, kcal/mol:	7.72
Dipole, Da:	3.99
IP(EA), eV:	-8.62(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2Z)-2-(5-bromo-3,3-difluoro-1-benzofuran-2-ylidene)acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=O)C(S2)(C3=CC4=CC=CC=C4S3)O

DOS

IR

Vibrations