Geometry & MOs

Info

ID:	226111
PubChem CID:	87325763
Reduced:	ClSF3O6H12C13 (1)
Stoich.:	ABC3D6E12F13 (1)
Weight, g/mol:	136.074896
ΔH_f, kcal/mol:	-375.3
Dipole, Da:	6.39
IP(EA), eV:	-9.72(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5Z,7Z)-diazocine-3,4-diamine

Drug info:

PubChemData

Smile

C1CCOC(C1)OC2=CC(=C(C(=C2)Cl)C=O)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations