Geometry & MOs

Info

ID:	197483
PubChem CID:	78969784
Reduced:	N4O4C13H16 (1)
Stoich.:	A4B4C13D16 (1)
Weight, g/mol:	358.98269
ΔH_f, kcal/mol:	-53.24
Dipole, Da:	0.93
IP(EA), eV:	-9.52(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[propyl(prop-2-ynyl)sulfamoyl]benzoic acid

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=C(C=C1)NCC(=O)NC2CC2)[N+](=O)[O-]

DOS

IR

Vibrations