Geometry & MOs

Info

ID:

46927

PubChem CID:

10528437

Reduced:

O5N6C23H32 (1)

Stoich.:

A5B6C23D32 (1)

Weight, g/mol:

472.340004

ΔHf, kcal/mol:

-139.79

Dipole, Da:

0.57

IP(EA), eV:

 -9.22(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-4-[(2S,5S)-5-[(1S)-3-[(4R,5S)-5-decyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypropyl]oxolan-2-yl]-4-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@H](N(O[C@@H]1N2C=NC3=C(N=CN=C32)N)C)C(=O)O[C@@H]4C[C@@H]5CC[C@]4(C5(C)C)C

DOS

IR

Vibrations