Geometry & MOs

Info

ID:	339042
PubChem CID:	127260053
Reduced:	NSO5H13C14 (1)
Stoich.:	ABC5D13E14 (1)
Weight, g/mol:	411.114044
ΔH_f, kcal/mol:	-83.86
Dipole, Da:	8.3
IP(EA), eV:	-9.53(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(aziridin-1-yl)-4-tert-butyl-5,8-dioxonaphthalen-1-yl] benzenesulfonate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations