Geometry & MOs

Info

ID:

404934

PubChem CID:

135071827

Reduced:

NO9C23H30 (2)

Stoich.:

AB9C23D30 (2)

Weight, g/mol:

812.363259

ΔHf, kcal/mol:

-728.89

Dipole, Da:

1.14

IP(EA), eV:

 -8.6(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (4R)-2,2-dimethyl-4-[(E)-3-[3-oxo-3-[2-oxo-1,3-bis(phenylmethoxymethyl)imidazol-4-yl]-2-(phenylmethoxycarbonylaminomethyl)propanoyl]oxyprop-1-enyl]-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC#CCCCCCOC1C(C(C(C(O1)C(=O)NC2=CC=C(C=C2)NC(=O)C3C(C(C(C(O3)OCCCCCC#CC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations