Geometry & MOs

Info

ID:	389772
PubChem CID:	134995152
Reduced:	BOS2F4C10H19 (1)
Stoich.:	ABC2D4E10F19 (1)
Weight, g/mol:	251.074007
ΔH_f, kcal/mol:	-393.55
Dipole, Da:	17.24
IP(EA), eV:	-9.71(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

nitro-[[nitro-[[nitro(propyl)amino]methyl]amino]methyl]azanide

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CC[S+](CC)C/C=C/C1OCCS1

DOS

IR

Vibrations