Geometry & MOs

Info

ID:

440581

PubChem CID:

135230578

Reduced:

FO3N7C28H30 (1)

Stoich.:

AB3C7D28E30 (1)

Weight, g/mol:

562.21401

ΔHf, kcal/mol:

-15.8

Dipole, Da:

6.51

IP(EA), eV:

 -9.32(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]-3-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=NN(C(=C2C)NC(=O)N[C@@H]3CN(O[C@H]3C4=CC(=NC=C4)F)CCOC)C5=CC=CC=C5

DOS

IR

Vibrations