Geometry & MOs

Info

ID:	77544
PubChem CID:	49655328
Reduced:	SO3N4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	426.153934
ΔH_f, kcal/mol:	-48.49
Dipole, Da:	2.23
IP(EA), eV:	-9.68(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-carbamoylphenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C(C(CC1=O)C(=O)NC2=NN=C(S2)C3CCCO3)C4=CC=CC=C4

DOS

IR

Vibrations