Geometry & MOs

Info

ID:

437510

PubChem CID:

135226435

Reduced:

O3F4N6C23H24 (1)

Stoich.:

A3B4C6D23E24 (1)

Weight, g/mol:

575.209259

ΔHf, kcal/mol:

-198.14

Dipole, Da:

11.1

IP(EA), eV:

 -9.5(-1.06)

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-[4-methyl-5-(3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C(F)(F)F)C2=CC=CC=C2)NC(=O)N[C@@H]3CN(O[C@H]3C4=CC(=NC=C4)F)CCOC

DOS

IR

Vibrations