Geometry & MOs

Info

ID:	372206
PubChem CID:	131294352
Reduced:	SN2O2C11H16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	333.91606
ΔH_f, kcal/mol:	-81.01
Dipole, Da:	3.69
IP(EA), eV:	-8.66(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-hydroxy-6-iodo-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N=C(S1)C2CCCCC2)N

DOS

IR

Vibrations