Geometry & MOs

Info

ID:	60833
PubChem CID:	26702531
Reduced:	BrSN2O3H17C21 (1)
Stoich.:	ABC2D3E17F21 (1)
Weight, g/mol:	443.16925
ΔH_f, kcal/mol:	-46.37
Dipole, Da:	5.79
IP(EA), eV:	-9.0(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4,5-trimethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=NC(=CS2)CC(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations