Geometry & MOs

Info

ID:	79926
PubChem CID:	49831421
Reduced:	OF2N3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	343.02416
ΔH_f, kcal/mol:	-81.85
Dipole, Da:	0.88
IP(EA), eV:	-9.15(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-4-bromobut-2-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C(C(=NN2)N)(F)F)O

DOS

IR

Vibrations