Geometry & MOs

Info

ID:

437461

PubChem CID:

135226324

Reduced:

FN6O6C31H33 (1)

Stoich.:

AB6C6D31E33 (1)

Weight, g/mol:

602.287763

ΔHf, kcal/mol:

-184.49

Dipole, Da:

11.14

IP(EA), eV:

 -8.8(-0.82)

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-piperazin-1-ylpyrimidin-5-yl)pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations