Geometry & MOs

Info

ID:

49603

PubChem CID:

11533345

Reduced:

SO4N6C24H28 (1)

Stoich.:

AB4C6D24E28 (1)

Weight, g/mol:

496.228115

ΔHf, kcal/mol:

-78.59

Dipole, Da:

3.55

IP(EA), eV:

 -8.73(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E,4R)-4-[(3aR,4R,6S,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal

Drug info:

PubChemData

Smile

COC1=NC2=C(C=CN=C2C=C1)[C@@H](CN3CCOC(C3)CNCC4=NC5=C(C=C4)SCC(=O)N5)O

DOS

IR

Vibrations