Geometry & MOs

Info

ID:	387359
PubChem CID:	134985071
Reduced:	FSO3H15C20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	343.076412
ΔH_f, kcal/mol:	-76.71
Dipole, Da:	2.66
IP(EA), eV:	-9.42(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-(4-methyl-2,3,6-trinitrophenyl)nitramide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)OS(=O)(=O)F)C3=CC=CC=C3

DOS

IR

Vibrations