Geometry & MOs

Info

ID:	373977
PubChem CID:	131321959
Reduced:	ClINO3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	287.96198
ΔH_f, kcal/mol:	-91.97
Dipole, Da:	6.2
IP(EA), eV:	-9.35(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-6-ethoxy-7-fluoro-1-benzothiophene

Drug info:

PubChemData

Smile

C1COC2=CC(=C(C=C2[C@]1(C(=O)O)N)Cl)I

DOS

IR

Vibrations