Geometry & MOs

Info

ID:

80932

PubChem CID:

49853944

Reduced:

S2N9O14C35H45 (1)

Stoich.:

A2B9C14D35E45 (1)

Weight, g/mol:

533.209676

ΔHf, kcal/mol:

-507.64

Dipole, Da:

5.4

IP(EA), eV:

 -9.21(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenoxy]-5-(piperidin-3-ylmethoxy)-N-(1,3-thiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)N(CC(NCC(=O)N[C@@H](CC2=CC3=CC=CC=C3C=C2)C(=O)NC4=NN=C(S4)S(=O)(=O)N)N(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O

DOS

IR

Vibrations