Geometry & MOs

Info

ID:

326539

PubChem CID:

126687740

Reduced:

N2O2C7H16 (1)

Stoich.:

A2B2C7D16 (1)

Weight, g/mol:

608.265335

ΔHf, kcal/mol:

-99.08

Dipole, Da:

4.05

IP(EA), eV:

-9.08(0.74)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S,3S)-4-[[(1S,2S)-1-(4-amino-1,2-dihydroxy-3-methoxybutoxy)-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-3-(methylamino)-3-oxopropan-2-yl]-methylamino]-3-hydroxy-2-(methylamino)butanoic acid

Drug info:

PubChemData

Smile

C[C@@H](CNC)[C@@H](C(=O)O)NC

DOS

IR

Vibrations