Geometry & MOs

Info

ID:	60231
PubChem CID:	26675958
Reduced:	SCl2O3N6H16C17 (1)
Stoich.:	AB2C3D6E16F17 (1)
Weight, g/mol:	446.091198
ΔH_f, kcal/mol:	-25.13
Dipole, Da:	3.71
IP(EA), eV:	-8.98(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-cyanophenyl)methyl]-N-(2-methoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N(CC2=NC(=NC(=N2)N)N)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations