Geometry & MOs

Info

ID:	157552
PubChem CID:	56435670
Reduced:	SN2O2C9H10 (2)
Stoich.:	AB2C2D9E10 (2)
Weight, g/mol:	407.12634
ΔH_f, kcal/mol:	-60.05
Dipole, Da:	7.86
IP(EA), eV:	-8.58(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)CC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations