Geometry & MOs

Info

ID:	226812
PubChem CID:	87558459
Reduced:	SH4C6 (2)
Stoich.:	AB4C6 (2)
Weight, g/mol:	493.008848
ΔH_f, kcal/mol:	60.13
Dipole, Da:	2.5
IP(EA), eV:	-8.44(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl-[[phenyl(trifluoromethylsulfonyloxy)methyl]amino]methyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C(=CC2=C1)C=CSS3

DOS

IR

Vibrations