Geometry & MOs

Info

ID:	227702
PubChem CID:	87562262
Reduced:	SN2O3F6H16C21 (1)
Stoich.:	AB2C3D6E16F21 (1)
Weight, g/mol:	386.290923
ΔH_f, kcal/mol:	-330.73
Dipole, Da:	4.05
IP(EA), eV:	-9.38(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-ene;acetate

Drug info:

PubChemData

Smile

C1CC1CC(C2=CC(=C(C(=C2)OCC(F)(F)F)C3=CC4=NSN=C4C=C3)C(F)(F)F)C(=O)O

DOS

IR

Vibrations