Geometry & MOs

Info

ID:

444972

PubChem CID:

135264139

Reduced:

N2O7C29H32 (1)

Stoich.:

A2B7C29D32 (1)

Weight, g/mol:

423.20055

ΔHf, kcal/mol:

-232.6

Dipole, Da:

3.97

IP(EA), eV:

 -9.6(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,4aS,7aS)-1-[(2S)-2-aminobutanoyl]oxy-7-[[(2S)-2,4-diaminopent-4-enoyl]oxymethyl]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2COC(=O)[C@H](CC3=CC=CC=C3)N)OC(=O)C(CC4=CC=CC=C4)N

DOS

IR

Vibrations