Geometry & MOs

Info

ID:

47238

PubChem CID:

10530814

Reduced:

O8H32C33 (1)

Stoich.:

A8B32C33 (1)

Weight, g/mol:

556.278466

ΔHf, kcal/mol:

-208.99

Dipole, Da:

4.97

IP(EA), eV:

 -8.84(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-ynoyl]oxymethyl]phenyl]methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-ynoate

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2OCC(COC3=CC=CC=C3OCCO1)(C4=CC=CC=C4)OC(C5=CC=CC=C5)C(=O)O

DOS

IR

Vibrations