Geometry & MOs

Info

ID:

440568

PubChem CID:

135230565

Reduced:

F2O3N8C24H26 (1)

Stoich.:

A2B3C8D24E26 (1)

Weight, g/mol:

601.244895

ΔHf, kcal/mol:

-46.61

Dipole, Da:

9.0

IP(EA), eV:

 -8.95(-1.03)

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-5-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=CN(N=C3N=C2)C(F)F)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(OC5)CCOC

DOS

IR

Vibrations