Geometry & MOs

Info

ID:

444977

PubChem CID:

135264144

Reduced:

N3O12C35H47 (1)

Stoich.:

A3B12C35D47 (1)

Weight, g/mol:

453.118868

ΔHf, kcal/mol:

-542.24

Dipole, Da:

4.23

IP(EA), eV:

 -9.63(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (7aR)-7-[(2-amino-3-phenylpropanoyl)oxymethyl]-1-phosphonooxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-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](CCC=C3COC(=O)[C@H](CC(=O)N)NC(=O)OC(C)(C)C)C(=CO2)C(=O)OC

DOS

IR

Vibrations