Geometry & MOs

Info

ID:

440474

PubChem CID:

135230453

Reduced:

FO4N8C27H29 (1)

Stoich.:

AB4C8D27E29 (1)

Weight, g/mol:

534.219095

ΔHf, kcal/mol:

-36.44

Dipole, Da:

11.14

IP(EA), eV:

 -8.68(-0.78)

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-(6-methoxypyridin-3-yl)-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(C=N2)OC)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC

DOS

IR

Vibrations