Geometry & MOs

Info

ID:

322344

PubChem CID:

126669862

Reduced:

FN2O5C26H41 (1)

Stoich.:

AB2C5D26E41 (1)

Weight, g/mol:

555.311992

ΔHf, kcal/mol:

-221.91

Dipole, Da:

5.65

IP(EA), eV:

 -9.28(0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 3-[2-[4-(2,2-difluoroethyl)-2-oxopiperazin-1-yl]ethyl]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=CC[C@@H]1[C@@](O1)(C)C2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)N4CC(C4)CCN5CC[C@@H](C5)F)OC)C

DOS

IR

Vibrations