Geometry & MOs

Info

ID:	84168
PubChem CID:	49864715
Reduced:	F2O14H26C35 (1)
Stoich.:	A2B14C26D35 (1)
Weight, g/mol:	423.198048
ΔH_f, kcal/mol:	-568.77
Dipole, Da:	4.29
IP(EA), eV:	-8.96(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylpiperazin-1-yl)phenyl]-N-propylnaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2OC(=O)C3=CC=C(C=C3)F)OC4=C(C=CC(=C4)C5=C(C(=O)C6=C(C=C(C=C6O5)O)O)O)O)CO)O)F

DOS

IR

Vibrations