Geometry & MOs

Info

ID:	34071
PubChem CID:	7889706
Reduced:	SN3O6C19H21 (1)
Stoich.:	AB3C6D19E21 (1)
Weight, g/mol:	326.065119
ΔH_f, kcal/mol:	-183.22
Dipole, Da:	7.08
IP(EA), eV:	-9.38(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl pyridine-4-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=CC=NC=C3

DOS

IR

Vibrations