Geometry & MOs

Info

ID:	81105
PubChem CID:	49854357
Reduced:	SN4O4H22C24 (1)
Stoich.:	AB4C4D22E24 (1)
Weight, g/mol:	479.162725
ΔH_f, kcal/mol:	-15.79
Dipole, Da:	4.43
IP(EA), eV:	-9.06(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(dimethylamino)propoxy]-5-[4-(5-methyl-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)OCCC4CC4)C(=O)NC5=NC=CS5

DOS

IR

Vibrations