Geometry & MOs

Info

ID:

44970

PubChem CID:

10506933

Reduced:

ClSN3O6C26H36 (1)

Stoich.:

ABC3D6E26F36 (1)

Weight, g/mol:

554.202932

ΔHf, kcal/mol:

-286.99

Dipole, Da:

4.56

IP(EA), eV:

 -8.82(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-diethoxyphosphoryl-2-[(2R,3S)-2-(3,4-dihydroxybutyl)-3-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]acetate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1[C@H]2CCC[C@H]2CC[C@H]1C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)C3=C(C=C(C=C3)Cl)O

DOS

IR

Vibrations