Geometry & MOs

Info

ID:	84995
PubChem CID:	49871239
Reduced:	NF3C15H16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	363.069592
ΔH_f, kcal/mol:	-99.43
Dipole, Da:	5.71
IP(EA), eV:	-8.98(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-chlorophenyl)-2-methylidene-3-oxobutyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CC#CC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations