Geometry & MOs

Info

ID:

84091

PubChem CID:

49864092

Reduced:

PN2O9C18H27 (1)

Stoich.:

AB2C9D18E27 (1)

Weight, g/mol:

460.161068

ΔHf, kcal/mol:

-412.43

Dipole, Da:

6.38

IP(EA), eV:

 -9.36(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2R)-2-[[[(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-(4-methylphenoxy)phosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OP(=O)(N[C@H](C)C(=O)OC)OC[C@@H]2[C@@H](OC(O2)(C)C)C(=O)NO

DOS

IR

Vibrations