Geometry & MOs

Info

ID:

46962

PubChem CID:

10528668

Reduced:

O3C32H46 (1)

Stoich.:

A3B32C46 (1)

Weight, g/mol:

478.261233

ΔHf, kcal/mol:

-161.76

Dipole, Da:

9.19

IP(EA), eV:

 -9.75(0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[N'-[(4S,5E)-4-[3-[[(2S)-2-acetamido-4-methylpentanoyl]amino]propanoylamino]-5-(carbamoylhydrazinylidene)(513C)pentyl]carbamimidoyl]azanium;chloride

Drug info:

PubChemData

Smile

C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3(CCC(=O)C5)C)[C@H]6[C@@H]4COC6=O)C

DOS

IR

Vibrations