Geometry & MOs

Info

ID:	135920
PubChem CID:	51957045
Reduced:	BrN2S2O4C17H18 (1)
Stoich.:	AB2C2D4E17F18 (1)
Weight, g/mol:	488.85132
ΔH_f, kcal/mol:	-76.38
Dipole, Da:	6.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.183361
Charge, e:	-1

Chem-info

IUPAC name:

2,5-dibromo-N-[4-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-ylsulfanyl)phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N2CCCC3=C(C=CC=C32)[N-]S(=O)(=O)C)Br

DOS

IR

Vibrations