Geometry & MOs

Info

ID:	373465
PubChem CID:	131315687
Reduced:	SO2N3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	240.025643
ΔH_f, kcal/mol:	-1.99
Dipole, Da:	4.5
IP(EA), eV:	-8.83(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-fluoro-7-(hydroxymethyl)-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=C2N1C(=C(S2)C#N)CC(=O)O

DOS

IR

Vibrations