Geometry & MOs

Info

ID:

47044

PubChem CID:

10529140

Reduced:

NSO6C26H37 (1)

Stoich.:

ABC6D26E37 (1)

Weight, g/mol:

491.171719

ΔHf, kcal/mol:

-215.69

Dipole, Da:

4.57

IP(EA), eV:

 -8.98(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]propyl]-2-oxo-3-phenylsulfanylpropanimidoyl chloride

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]2[C@@H](O2)C[C@H](OC(=O)C[C@@H](C3(CC3)C(=O)[C@H]([C@@H]1O)C)O)/C(=C/C4=CSC(=N4)C)/C

DOS

IR

Vibrations