Geometry & MOs

Info

ID:	161999
PubChem CID:	57393279
Reduced:	BrSCl2O3N7C19H28 (1)
Stoich.:	ABC2D3E7F19G28 (1)
Weight, g/mol:	504.135139
ΔH_f, kcal/mol:	-86.79
Dipole, Da:	10.52
IP(EA), eV:	-7.85(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[(4-chlorophenyl)sulfonylamino]butyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[N+](C)(CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)CCNC(=O)C2=C(N=C(C(=N2)Cl)N)N.[Br-]

DOS

IR

Vibrations