Geometry & MOs

Info

ID:	52367
PubChem CID:	12015209
Reduced:	SN3O4C15H25 (1)
Stoich.:	AB3C4D15E25 (1)
Weight, g/mol:	511.8115
ΔH_f, kcal/mol:	-85.84
Dipole, Da:	5.03
IP(EA), eV:	-9.81(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4,6-tribromophenyl) 2,4,6-trimethylbenzenesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations