Geometry & MOs

Info

ID:	60116
PubChem CID:	26675702
Reduced:	FSN3O5C22H24 (1)
Stoich.:	ABC3D5E22F24 (1)
Weight, g/mol:	412.064841
ΔH_f, kcal/mol:	-225.75
Dipole, Da:	6.27
IP(EA), eV:	-9.51(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[4-[(2-cyanophenyl)methoxy]phenyl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCC[C@@]1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2S(=O)(=O)C)C3=CC=C(C=C3)F

DOS

IR

Vibrations