Geometry & MOs

Info

ID:

440462

PubChem CID:

135230439

Reduced:

FN3O3C15H18 (2)

Stoich.:

AB3C3D15E18 (2)

Weight, g/mol:

616.255794

ΔHf, kcal/mol:

-219.86

Dipole, Da:

8.8

IP(EA), eV:

 -8.61(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-(1-acetyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl)-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1OCC2CN(CCO2)C(=O)C)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations