Geometry & MOs

Info

ID:	157262
PubChem CID:	56422467
Reduced:	OSN4H20C25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	413.114234
ΔH_f, kcal/mol:	96.93
Dipole, Da:	2.65
IP(EA), eV:	-8.67(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)butanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC=C3C=C2C(=O)NCC4=NC(=CS4)C5=CC=NC=C5

DOS

IR

Vibrations