Geometry & MOs

Info

ID:	387478
PubChem CID:	134985525
Reduced:	SN2O4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	420.222014
ΔH_f, kcal/mol:	-61.38
Dipole, Da:	6.03
IP(EA), eV:	-10.46(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-(2-methyl-1-nitroheptan-2-yl)oxy-3,3-dinitro-5-pentyl-1,2-oxazolidine

Drug info:

PubChemData

Smile

CCC(C)(C(CC)(C#N)S(=O)(=O)C1=CC=C(C=C1)C)[N+](=O)[O-]

DOS

IR

Vibrations