Geometry & MOs

Info

ID:

231485

PubChem CID:

87573873

Reduced:

SO6N9C53H67 (1)

Stoich.:

AB6C9D53E67 (1)

Weight, g/mol:

420.093382

ΔHf, kcal/mol:

-187.31

Dipole, Da:

7.3

IP(EA), eV:

 -8.63(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[hydroxy-[2-(phenacylamino)ethoxyperoxy]phosphoryl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)[C@@H]4CSC[C@H](N4C5=CC=C(C=C5)C(C)(C)C)C6=CC=C(C=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)O

DOS

IR

Vibrations