Geometry & MOs

Info

ID:	346327
PubChem CID:	127270831
Reduced:	SO2N4C15H22 (1)
Stoich.:	AB2C4D15E22 (1)
Weight, g/mol:	350.141262
ΔH_f, kcal/mol:	-62.83
Dipole, Da:	3.34
IP(EA), eV:	-9.61(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(3-propyl-1,2,4-thiadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CCCC1=NSC(=N1)NC(=O)C2CC(=O)N(C2)C3CCCC3

DOS

IR

Vibrations