Geometry & MOs

Info

ID:

47371

PubChem CID:

10531964

Reduced:

Si2O4C37H58 (1)

Stoich.:

A2B4C37D58 (1)

Weight, g/mol:

624.298213

ΔHf, kcal/mol:

-246.72

Dipole, Da:

2.35

IP(EA), eV:

 -8.96(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-4-[[(1S)-1-carboxy-2-cyclopentylethyl]amino]-3-[[2-[ethyl(4-piperidin-1-ium-4-ylbutanoyl)amino]acetyl]amino]-4-oxobutanoic acid;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1CO1)[C@@H](/C(=C/[C@@H]2CC[C@H]([C@@H](C2)OC)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)/C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations