Geometry & MOs

Info

ID:

220209

PubChem CID:

85165366

Reduced:

N3O10C36H39 (1)

Stoich.:

A3B10C36D39 (1)

Weight, g/mol:

672.177199

ΔHf, kcal/mol:

-250.37

Dipole, Da:

2.68

IP(EA), eV:

 -9.39(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-[[4-oxo-1-phenylmethoxy-4-(2,2,2-trichloroethoxy)butan-2-yl]amino]hexanoate

Drug info:

PubChemData

Smile

C=CCOC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)OC4C(C(C5C(O4)COC(O5)C6=CC=CC=C6)O)N=[N+]=[N-])OCC7=CC=CC=C7

DOS

IR

Vibrations