Geometry & MOs

Info

ID:	140928
PubChem CID:	52785401
Reduced:	SCl2N2O4C18H19 (1)
Stoich.:	AB2C2D4E18F19 (1)
Weight, g/mol:	322.059898
ΔH_f, kcal/mol:	-102.51
Dipole, Da:	2.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764439
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=NCCCOC2=C(C=C(C=C2)Cl)Cl)[O-])NS(=O)(=O)C

DOS

IR

Vibrations