Geometry & MOs

Info

ID:

440632

PubChem CID:

135230658

Reduced:

F2O3N7C27H29 (1)

Stoich.:

A2B3C7D27E29 (1)

Weight, g/mol:

599.303159

ΔHf, kcal/mol:

-52.71

Dipole, Da:

7.07

IP(EA), eV:

 -8.66(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations