Geometry & MOs

Info

ID:	374804
PubChem CID:	131346349
Reduced:	ClFSO3H6C10 (1)
Stoich.:	ABCD3E6F10 (1)
Weight, g/mol:	297.92993
ΔH_f, kcal/mol:	-141.18
Dipole, Da:	5.16
IP(EA), eV:	-9.32(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-bromo-4-formyl-1-benzothiophene-5-carboxylate

Drug info:

PubChemData

Smile

C1=C2C(=CC(=C1C(C(=O)O)O)F)SC=C2Cl

DOS

IR

Vibrations