Geometry & MOs

Info

ID:	226961
PubChem CID:	87559236
Reduced:	NSO3F5H14C20 (1)
Stoich.:	ABC3D5E14F20 (1)
Weight, g/mol:	689.002461
ΔH_f, kcal/mol:	-279.34
Dipole, Da:	2.46
IP(EA), eV:	-7.87(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[[(2,3,4,5,6-pentafluorophenyl)sulfonyloxy-phenylmethyl]amino]-phenylmethyl] 2,3,4,5,6-pentafluorobenzenesulfonate

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2NC3=CC=CC=C31.C1(=C(C(=C(C(=C1F)F)S(=O)(=O)O)F)F)F

DOS

IR

Vibrations