Geometry & MOs

Info

ID:

440608

PubChem CID:

135230622

Reduced:

F2O5N6C30H32 (1)

Stoich.:

A2B5C6D30E32 (1)

Weight, g/mol:

633.298742

ΔHf, kcal/mol:

-160.01

Dipole, Da:

5.79

IP(EA), eV:

 -9.0(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations