Geometry & MOs

Info

ID:	272176
PubChem CID:	103730827
Reduced:	SO3N4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	306.099791
ΔH_f, kcal/mol:	-12.82
Dipole, Da:	6.89
IP(EA), eV:	-9.33(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfamoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CCNC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])N

DOS

IR

Vibrations