Geometry & MOs

Info

ID:

403849

PubChem CID:

135062199

Reduced:

N5O5C31H43 (1)

Stoich.:

A5B5C31D43 (1)

Weight, g/mol:

566.334245

ΔHf, kcal/mol:

-144.6

Dipole, Da:

3.28

IP(EA), eV:

 -8.7(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(Z)-3-[benzamido(benzyl)amino]-1-(2,4-dimethylpentan-3-yloxy)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-ene-2-diazonium

Drug info:

PubChemData

Smile

CC(C)C(C(C)C)O/C(=C(/C(CCNC(=O)OC(C)(C)C)N(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)\[N+]#N)/[O-]

DOS

IR

Vibrations