Geometry & MOs

Info

ID:

185536

PubChem CID:

77311215

Reduced:

Br2N3O9C26H31 (1)

Stoich.:

A2B3C9D26E31 (1)

Weight, g/mol:

529.0597

ΔHf, kcal/mol:

-367.79

Dipole, Da:

13.04

IP(EA), eV:

 -9.52(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[2-[[4-bromo-2-(5-oxo-1,2,4-oxadiazolidin-3-yl)phenyl]carbamoyl]-1-methylindol-6-yl]amino]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=C(C2=C(C=C1)C(C3C(C4C(C(=O)C(=C(C4(C(=O)C3=C2O)O)O)C(=O)N)N(C)C)O)C)O)Br.Br

DOS

IR

Vibrations