Geometry & MOs

Info

ID:

378474

PubChem CID:

134224557

Reduced:

N2O3C17H25 (2)

Stoich.:

A2B3C17D25 (2)

Weight, g/mol:

723.278978

ΔHf, kcal/mol:

-134.24

Dipole, Da:

13.53

IP(EA), eV:

 -8.49(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[2-[[[3-[6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoyl]amino]methyl]cyclopentyl]acetate

Drug info:

PubChemData

Smile

CCN(CCOC(=O)C(C)(C(C)(C)C)C(C)(C)C(C)(C)C(C)(C)C(=O)OC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations