Geometry & MOs

Info

ID:

440458

PubChem CID:

135230435

Reduced:

FO4N6C29H31 (1)

Stoich.:

AB4C6D29E31 (1)

Weight, g/mol:

616.282089

ΔHf, kcal/mol:

-60.25

Dipole, Da:

9.34

IP(EA), eV:

 -8.43(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[5-[[[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]amino]-hydroxymethyl]amino]-4-methyl-1-phenylpyrazol-3-yl]oxymethyl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC

DOS

IR

Vibrations