Geometry & MOs

Info

ID:

224486

PubChem CID:

85343947

Reduced:

FN4O6C41H53 (1)

Stoich.:

AB4C6D41E53 (1)

Weight, g/mol:

718.222205

ΔHf, kcal/mol:

-295.38

Dipole, Da:

4.07

IP(EA), eV:

 -9.03(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-2-cyano-4-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)-(methoxymethoxy)methyl]-2-(trichloromethyl)-4,5-dihydro-1,3-oxazol-4-yl]-4-(methoxymethoxy)butanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C)(C)CC=CC(=O)N(C)C(CC1=CC2=CC=CC=C2C=C1)C(=O)N(C)C(CC3=CC=C(C=C3)F)C(=O)N4CCC(CC4)O

DOS

IR

Vibrations