Geometry & MOs

Info

ID:	81199
PubChem CID:	49854456
Reduced:	SN4O4H24C25 (1)
Stoich.:	AB4C4D24E25 (1)
Weight, g/mol:	519.194026
ΔH_f, kcal/mol:	-31.87
Dipole, Da:	5.61
IP(EA), eV:	-9.29(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(piperidin-3-ylmethoxy)-5-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C2=CC=C(C=C2)OC3=CC(=CC(=C3)OCC4CCCC4)C(=O)NC5=NC=CS5

DOS

IR

Vibrations