Geometry & MOs

Info

ID:

81014

PubChem CID:

49854254

Reduced:

S2N8O13C25H34 (1)

Stoich.:

A2B8C13D25E34 (1)

Weight, g/mol:

466.131091

ΔHf, kcal/mol:

-426.75

Dipole, Da:

8.94

IP(EA), eV:

 -8.83(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[C@@H](C(=O)NC2=NN=C(S2)S(=O)(=O)N)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)O

DOS

IR

Vibrations