Geometry & MOs

Info

ID:	81813
PubChem CID:	49855196
Reduced:	ClSO4N5H18C23 (1)
Stoich.:	ABC4D5E18F23 (1)
Weight, g/mol:	466.131091
ΔH_f, kcal/mol:	-12.34
Dipole, Da:	4.89
IP(EA), eV:	-8.82(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-1-methoxypropan-2-yl]oxy-5-[3-(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=C(C=CC(=C3)OC(C)CC#N)C(=O)NC4=NC=C(S4)Cl

DOS

IR

Vibrations