Geometry & MOs

Info

ID:

437507

PubChem CID:

135226432

Reduced:

FO3N6C23H27 (1)

Stoich.:

AB3C6D23E27 (1)

Weight, g/mol:

615.232948

ΔHf, kcal/mol:

-41.3

Dipole, Da:

9.75

IP(EA), eV:

 -9.04(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-2-phenyl-5-[2-(2,2,2-trifluoroethylamino)pyrimidin-5-yl]pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations