Geometry & MOs

Info

ID:	81103
PubChem CID:	49854355
Reduced:	SN4O5H24C25 (1)
Stoich.:	AB4C5D24E25 (1)
Weight, g/mol:	506.162391
ΔH_f, kcal/mol:	-52.76
Dipole, Da:	8.3
IP(EA), eV:	-8.98(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methoxypropan-2-yloxy)-N-(1,3-thiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC(COC)OC1=CC(=CC(=C1)OC2=CC=C(C=C2)C3=NN=C(O3)C4CC4)C(=O)NC5=NC=CS5

DOS

IR

Vibrations