Geometry & MOs

Info

ID:

448127

PubChem CID:

135288654

Reduced:

Cl2O2N9H19C27 (1)

Stoich.:

A2B2C9D19E27 (1)

Weight, g/mol:

471.236936

ΔHf, kcal/mol:

117.68

Dipole, Da:

4.09

IP(EA), eV:

 -9.34(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-6-oxohexanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)NC2=C3C=NNC3=NC=C2)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N6C=C(N=N6)Cl

DOS

IR

Vibrations