Geometry & MOs

Info

ID:	89816
PubChem CID:	49964830
Reduced:	SN2O4H18C22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	259.00822
ΔH_f, kcal/mol:	-55.71
Dipole, Da:	5.53
IP(EA), eV:	-8.24(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-bromo-3-nitrophenyl)-trimethylazanium

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations