Geometry & MOs

Info

ID:

435312

PubChem CID:

135189553

Reduced:

ON4H48C68 (1)

Stoich.:

AB4C48D68 (1)

Weight, g/mol:

430.231516

ΔHf, kcal/mol:

283.3

Dipole, Da:

1.36

IP(EA), eV:

 -7.74(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methylpropyl (2S)-6-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5,6-dioxohexanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC5=C(C=C4)OC6=C5C=C(C=C6)N(C7=CC=CC=C7)C8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC2=CC=CC=C2C=C1)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations