Geometry & MOs

Info

ID:

44738

PubChem CID:

10505676

Reduced:

NSiO6C27H41 (1)

Stoich.:

ABC6D27E41 (1)

Weight, g/mol:

503.306786

ΔHf, kcal/mol:

-301.09

Dipole, Da:

5.85

IP(EA), eV:

 -8.63(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[N'-[(4S)-4-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-cyclohexylpropanoyl]amino]-5-oxo(513C)pentyl]carbamimidoyl]azanium;chloride

Drug info:

PubChemData

Smile

CCOC(=O)CN1[C@@H]([C@H](C1=O)[C@@H](C)O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/COC(=O)C2=CC=CC=C2

DOS

IR

Vibrations