Geometry & MOs

Info

ID:	372289
PubChem CID:	131295553
Reduced:	BrClNO3C9H9 (1)
Stoich.:	ABCD3E9F9 (1)
Weight, g/mol:	238.02998
ΔH_f, kcal/mol:	-108.22
Dipole, Da:	2.93
IP(EA), eV:	-9.89(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-4-methoxy-1-benzothiophene-7-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[C@@](CO)(C(=O)O)N)Cl)Br

DOS

IR

Vibrations