Geometry & MOs

Info

ID:	162437
PubChem CID:	57394662
Reduced:	SCl2O2N3C24H29 (1)
Stoich.:	AB2C2D3E24F29 (1)
Weight, g/mol:	457.159076
ΔH_f, kcal/mol:	-59.49
Dipole, Da:	3.92
IP(EA), eV:	-8.31(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCCCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=CC(=CC=C4)Cl.Cl

DOS

IR

Vibrations