Geometry & MOs

Info

ID:	230202
PubChem CID:	87570411
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	583.995009
ΔH_f, kcal/mol:	-50.59
Dipole, Da:	6.49
IP(EA), eV:	-9.2(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxiran-2-ylmethyl 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=CC(=C1)C(C)(CN2N=C3C=CC=CC3=N2)C(=O)O)O

DOS

IR

Vibrations