Geometry & MOs

Info

ID:	375339
PubChem CID:	131500010
Reduced:	N2O2C7H11 (2)
Stoich.:	A2B2C7D11 (2)
Weight, g/mol:	244.971355
ΔH_f, kcal/mol:	-160.19
Dipole, Da:	3.88
IP(EA), eV:	-9.6(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(chloromethyl)-5-fluoro-2-nitro-1-benzothiophene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)C2=NN(C(=N2)C(=O)O)C

DOS

IR

Vibrations