Geometry & MOs

Info

ID:	26576
PubChem CID:	653143
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	451.159949
ΔH_f, kcal/mol:	17.64
Dipole, Da:	5.03
IP(EA), eV:	-8.6(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC=CC=N2)C(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations