Geometry & MOs

Info

ID:	166811
PubChem CID:	74736366
Reduced:	ON3C14H18 (2)
Stoich.:	AB3C14D18 (2)
Weight, g/mol:	427.104936
ΔH_f, kcal/mol:	99.2
Dipole, Da:	17.08
IP(EA), eV:	-3.9(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[5-[[3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]methyl]-1,2,4-oxadiazol-3-yl]benzoate

Drug info:

PubChemData

Smile

C1C[NH+]2CC(C1CC2CNC(=O)NC3=CC=CC(=C3)C#N)C[NH+]4CC5CC(C4)C6=CC=CC(=O)N6C5

DOS

IR

Vibrations