Geometry & MOs

Info

ID:	435872
PubChem CID:	135192652
Reduced:	NO3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	403.88027
ΔH_f, kcal/mol:	-50.08
Dipole, Da:	3.34
IP(EA), eV:	-8.98(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-bis(trifluoromethyl)benzenesulfonyl iodide

Drug info:

PubChemData

Smile

CCC1C(=O)N(C2=CC=CC(=C2O1)C=C)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations