Geometry & MOs

Info

ID:	177839
PubChem CID:	76240167
Reduced:	SO2N5H21C22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	400.084141
ΔH_f, kcal/mol:	27.87
Dipole, Da:	12.51
IP(EA), eV:	-8.55(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-phenylethenylsulfonylamino)acetate

Drug info:

PubChemData

Smile

CN1C=NN=C1SC2=CC=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)N4CCCC4=O

DOS

IR

Vibrations