Geometry & MOs

Info

ID:	391277
PubChem CID:	135004064
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	601.875894
ΔH_f, kcal/mol:	-36.88
Dipole, Da:	3.43
IP(EA), eV:	-9.11(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11-acetyloxy-2,4,4,6,8,8,10-heptachloro-5,5,6,7,7-pentafluoroundecyl) acetate

Drug info:

PubChemData

Smile

CC(C)[C@H]1C(=O)N([C@H](N1CCC(=O)C)C2=CC=CC=C2)C3=CC=CC=N3

DOS

IR

Vibrations