Geometry & MOs

Info

ID:	168902
PubChem CID:	75040357
Reduced:	BrON2H11C15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	798.245195
ΔH_f, kcal/mol:	59.33
Dipole, Da:	6.66
IP(EA), eV:	-9.49(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(2-methoxyethoxy)ethoxy]propyl]-N-[3-[2-[2-(2-methoxyethoxy)ethoxy]propyl-(2-nitrophenyl)sulfonylamino]phenyl]-2-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(N=NC2=O)CC3=CC=C(C=C3)Br

DOS

IR

Vibrations