Geometry & MOs

Info

ID:	318146
PubChem CID:	126649081
Reduced:	Cl2F2N2O3H22C25 (1)
Stoich.:	A2B2C2D3E22F25 (1)
Weight, g/mol:	308.971891
ΔH_f, kcal/mol:	-190.3
Dipole, Da:	4.32
IP(EA), eV:	-9.2(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-cyano-2-fluoro-1-benzofuran-4-yl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC(C(C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)N(C)C3=C(C=CC(=C3)Cl)Cl)(F)F)O

DOS

IR

Vibrations