Geometry & MOs

Info

ID:

215029

PubChem CID:

85084026

Reduced:

N3F4O9H27C32 (1)

Stoich.:

A3B4C9D27E32 (1)

Weight, g/mol:

673.353422

ΔHf, kcal/mol:

-466.37

Dipole, Da:

5.76

IP(EA), eV:

 -8.77(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]pentanoylamino]-3-[(3-ethoxycarbonyloxirane-2-carbonyl)amino]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC(=O)NC2CCC3=C4C(=CC=C3)CC(N4C2=O)C(=O)NC(CC(=O)O)C(=O)COC5=C(C(=CC(=C5F)F)F)F

DOS

IR

Vibrations