Geometry & MOs

Info

ID:	81752
PubChem CID:	49855098
Reduced:	SO4N5C28H31 (1)
Stoich.:	AB4C5D28E31 (1)
Weight, g/mol:	479.106353
ΔH_f, kcal/mol:	-44.98
Dipole, Da:	6.55
IP(EA), eV:	-8.91(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-cyanopropan-2-yloxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide

Drug info:

PubChemData

Smile

CCN1CCC(CC1)COC2=CC(=C(C=C2)C(=O)NC3=NC=C(S3)C)OC4=CC=C(C=C4)C5=NN=C(O5)C

DOS

IR

Vibrations