Geometry & MOs

Info

ID:

7412

PubChem CID:

72479

Reduced:

NO2C4H5 (5)

Stoich.:

AB2C4D5 (5)

Weight, g/mol:

495.160142

ΔHf, kcal/mol:

-393.88

Dipole, Da:

7.43

IP(EA), eV:

 -9.85(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C1=NC=C(C=C1)O)O)[C@@H](C(=O)N[C@@H]([C@@H]2[C@H](C([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)N

DOS

IR

Vibrations