Geometry & MOs

Info

ID:

440442

PubChem CID:

135230419

Reduced:

F2O4N7C29H29 (1)

Stoich.:

A2B4C7D29E29 (1)

Weight, g/mol:

574.24523

ΔHf, kcal/mol:

-104.94

Dipole, Da:

5.21

IP(EA), eV:

 -9.0(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-(2,3-dihydro-1H-pyrido[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=C1C2=CC(=C(N=C2)OC)C(=O)NC)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)C

DOS

IR

Vibrations