Geometry & MOs

Info

ID:	292070
PubChem CID:	114279693
Reduced:	ClSN2O2C12H15 (1)
Stoich.:	ABC2D2E12F15 (1)
Weight, g/mol:	391.93327
ΔH_f, kcal/mol:	-42.12
Dipole, Da:	10.27
IP(EA), eV:	-9.72(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,3,3,3-pentafluoro-1-(5-iodo-2,3-dihydro-1-benzofuran-7-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(CN(C)S(=O)(=O)C1=CC=C(C=C1)CCl)C#N

DOS

IR

Vibrations