Geometry & MOs

Info

ID:	60239
PubChem CID:	26675968
Reduced:	ClSO2F3N6H16C18 (1)
Stoich.:	ABC2D3E6F16G18 (1)
Weight, g/mol:	396.094392
ΔH_f, kcal/mol:	-151.99
Dipole, Da:	4.35
IP(EA), eV:	-9.68(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-cyanophenyl)methyl]-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC2=NC(=NC(=N2)N)N)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations