Geometry & MOs

Info

ID:	157161
PubChem CID:	56422207
Reduced:	SO2N4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	435.136511
ΔH_f, kcal/mol:	32.56
Dipole, Da:	1.81
IP(EA), eV:	-9.06(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CN=C(O2)CCCC(=O)NCC3=NC(=CS3)C4=CC=NC=C4

DOS

IR

Vibrations