Geometry & MOs

Info

ID:

446693

PubChem CID:

135276958

Reduced:

NO3C20H39 (1)

Stoich.:

AB3C20D39 (1)

Weight, g/mol:

607.37337

ΔHf, kcal/mol:

-200.63

Dipole, Da:

3.51

IP(EA), eV:

 -8.41(0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S,3R)-3-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl] 2-(2-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoate

Drug info:

PubChemData

Smile

CC[C@@H]1C(CC(N(C[C@@H](CC(CCCC(C(=O)O1)C)O)C)C)C)C

DOS

IR

Vibrations