Geometry & MOs

Info

ID:	413715
PubChem CID:	135086665
Reduced:	NF3C12H18 (1)
Stoich.:	AB3C12D18 (1)
Weight, g/mol:	559.05783
ΔH_f, kcal/mol:	-162.71
Dipole, Da:	5.55
IP(EA), eV:	-10.34(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(9,9-dibromodecyl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C(CCC/C=C/CC(F)(F)F)CCCC#N

DOS

IR

Vibrations