Geometry & MOs

Info

ID:	405513
PubChem CID:	135074296
Reduced:	SO4H18C20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	298.999462
ΔH_f, kcal/mol:	-91.25
Dipole, Da:	5.4
IP(EA), eV:	-8.62(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-3-(3-chlorophenyl)prop-2-enyl]-1,1,1-trifluoromethanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2OC3=CC=CC=C3C

DOS

IR

Vibrations