Geometry & MOs

Info

ID:	123319
PubChem CID:	50842202
Reduced:	S2O3N4C20H30 (1)
Stoich.:	A2B3C4D20E30 (1)
Weight, g/mol:	469.214761
ΔH_f, kcal/mol:	-102.47
Dipole, Da:	10.05
IP(EA), eV:	-9.0(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-ethylpiperazin-1-yl)propyl]-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=CC(=CN2CC(=O)N3CCCCC3)S(=O)(=O)NCCC(C)C

DOS

IR

Vibrations