Geometry & MOs

Info

ID:	155725
PubChem CID:	56367180
Reduced:	BrN3O4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	465.081698
ΔH_f, kcal/mol:	-105.1
Dipole, Da:	3.87
IP(EA), eV:	-8.87(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Br)C(=O)NCC(=O)NC2=CN=CC=C2)OC

DOS

IR

Vibrations