Geometry & MOs

Info

ID:	404791
PubChem CID:	135070924
Reduced:	N3O6C37H51 (1)
Stoich.:	A3B6C37D51 (1)
Weight, g/mol:	318.083827
ΔH_f, kcal/mol:	-184.62
Dipole, Da:	3.56
IP(EA), eV:	-8.04(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-cyano-1-(2-fluorophenyl)ethyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCCCCC(C1=NC(=C(O1)N2CCOCC2)CC3=CC=CC=C3)N(CCC4=CC(=C(C=C4)OC)OC)C/C=C/C(=O)OCC

DOS

IR

Vibrations