Geometry & MOs

Info

ID:	389733
PubChem CID:	134994847
Reduced:	P3S3C7O11H17 (1)
Stoich.:	A3B3C7D11E17 (1)
Weight, g/mol:	262.102568
ΔH_f, kcal/mol:	-716.12
Dipole, Da:	4.12
IP(EA), eV:	-9.92(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-azido-3-[butyl(nitro)amino]propan-2-yl] nitrate

Drug info:

PubChemData

Smile

CC1[C@H]([C@H]([C@@H]([C@H](O1)COP(=S)(O)OP(=S)(O)OP(=S)(O)O)O)O)O

DOS

IR

Vibrations