Geometry & MOs

Info

ID:	381311
PubChem CID:	134972006
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	586.187954
ΔH_f, kcal/mol:	-144.5
Dipole, Da:	4.18
IP(EA), eV:	-10.17(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-aminobutyl)-N-[3-[3-(methylamino)propyl-(4-nitrophenyl)sulfonylamino]propyl]-4-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

C=C[C@H](C[C@@H](CO)O)OC(=O)C1=CC=CC=C1

DOS

IR

Vibrations