Geometry & MOs

Info

ID:

444974

PubChem CID:

135264141

Reduced:

N2O9C30H38 (1)

Stoich.:

A2B9C30D38 (1)

Weight, g/mol:

470.205301

ΔHf, kcal/mol:

-371.98

Dipole, Da:

4.22

IP(EA), eV:

 -9.4(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,4aS,7aS)-1-[(2S)-2-amino-3-phenylpropanoyl]oxy-4-methoxycarbonyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O[C@H]2[C@H]3[C@H](CC=C3COC(=O)C4CCCN4)C(=CO2)C(=O)OC

DOS

IR

Vibrations