Geometry & MOs

Info

ID:	25878
PubChem CID:	632399
Reduced:	O6H14C21 (1)
Stoich.:	A6B14C21 (1)
Weight, g/mol:	522.029581
ΔH_f, kcal/mol:	-172.81
Dipole, Da:	5.7
IP(EA), eV:	-8.8(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-2,4-bis(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O

DOS

IR

Vibrations