Geometry & MOs

Info

ID:	26724
PubChem CID:	794783
Reduced:	NF2O4H9C14 (1)
Stoich.:	AB2C4D9E14 (1)
Weight, g/mol:	286.99384
ΔH_f, kcal/mol:	-136.29
Dipole, Da:	8.75
IP(EA), eV:	-10.06(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dichloro-N-propan-2-yl-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(=O)C2=C(C=CC=C2F)F)[N+](=O)[O-]

DOS

IR

Vibrations