Geometry & MOs

Info

ID:	81751
PubChem CID:	49855093
Reduced:	SO3N6C22H28 (1)
Stoich.:	AB3C6D22E28 (1)
Weight, g/mol:	533.209676
ΔH_f, kcal/mol:	-73.72
Dipole, Da:	1.62
IP(EA), eV:	-9.25(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethylpiperidin-4-yl)methoxy]-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)N2CC[C@H]([C@H]2C(=O)N)CNC(=O)C)C3=CC(=NC=C3)C4(CC4)C

DOS

IR

Vibrations