Geometry & MOs

Info

ID:	44759
PubChem CID:	10505788
Reduced:	O4N11C22H25 (1)
Stoich.:	A4B11C22D25 (1)
Weight, g/mol:	507.02442
ΔH_f, kcal/mol:	-26.54
Dipole, Da:	3.08
IP(EA), eV:	-8.34(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)sulfonylamino]ethyl-methyl-[1-(4-methylanilino)ethylidene]azanium;iodide

Drug info:

PubChemData

Smile

COC(=O)[C@H](CCC(=O)NC1=NNN=N1)NC(=O)C2=CC=C(C=C2)CCC3=CNC4=NC(=NC(=C34)N)N

DOS

IR

Vibrations