Geometry & MOs

Info

ID:	401020
PubChem CID:	135049795
Reduced:	NO3C7H8 (2)
Stoich.:	AB3C7D8 (2)
Weight, g/mol:	472.92141
ΔH_f, kcal/mol:	-125.88
Dipole, Da:	6.59
IP(EA), eV:	-9.38(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-3-[(4-methylphenyl)sulfonylamino]phenyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C#N)C1=CC(=C(C=C1[N+](=O)[O-])OC)OC

DOS

IR

Vibrations