Geometry & MOs

Info

ID:

168595

PubChem CID:

74992139

Reduced:

SN7O9H35C38 (1)

Stoich.:

AB7C9D35E38 (1)

Weight, g/mol:

511.1832

ΔHf, kcal/mol:

-234.06

Dipole, Da:

4.09

IP(EA), eV:

 -9.34(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-acetamido-3-[[4-amino-1-(3-butyl-1,2,4-oxadiazol-5-yl)-4-oxobutyl]amino]-3-oxopropyl]phenyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)C(=O)NC(CCC(=O)NS(=O)(=O)C3=CC=CC=C3C(=O)OC)C(=O)OCC4=CC=CC=C4)N=C1CC5=NC6=C(N5)C=C(C=C6)C(=O)N

DOS

IR

Vibrations