Geometry & MOs

Info

ID:	81200
PubChem CID:	49854457
Reduced:	SO4N5C27H29 (1)
Stoich.:	AB4C5D27E29 (1)
Weight, g/mol:	466.131091
ΔH_f, kcal/mol:	-46.22
Dipole, Da:	5.53
IP(EA), eV:	-9.06(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)C2=CC=C(C=C2)OC3=CC(=CC(=C3)OCC4CCCNC4)C(=O)NC5=NC=CS5

DOS

IR

Vibrations