Geometry & MOs

Info

ID:	149432
PubChem CID:	53789105
Reduced:	BrFON7H21C25 (1)
Stoich.:	ABCD7E21F25 (1)
Weight, g/mol:	284.050064
ΔH_f, kcal/mol:	84.51
Dipole, Da:	6.04
IP(EA), eV:	-8.47(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2-methoxyethoxysulfinyl(methyl)carbamoyl]oxyethanimidothioate

Drug info:

PubChemData

Smile

CCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=C(C=CN=C3)C4=NNN=N4)C5=C(C=CC=C5Br)F

DOS

IR

Vibrations