Geometry & MOs

Info

ID:

44739

PubChem CID:

10505683

Reduced:

ClO4N6C23H43 (1)

Stoich.:

AB4C6D23E43 (1)

Weight, g/mol:

467.330109

ΔHf, kcal/mol:

-246.81

Dipole, Da:

2.63

IP(EA), eV:

 -9.62(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-acetamido-N-[(2S)-3-cyclohexyl-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo(113C)pentan-2-yl]amino]-1-oxopropan-2-yl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCCN=C([NH3+])N)[13CH]=O)NC(=O)C.[Cl-]

DOS

IR

Vibrations