Geometry & MOs

Info

ID:

440350

PubChem CID:

135230309

Reduced:

SO2N9C27H27 (1)

Stoich.:

AB2C9D27E27 (1)

Weight, g/mol:

561.229994

ΔHf, kcal/mol:

143.59

Dipole, Da:

3.2

IP(EA), eV:

 -8.76(-0.76)

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-[5-(6-methanimidoylpyridin-3-yl)-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN(N=C2)C)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC=CC=C5)CC6=CSN=N6

DOS

IR

Vibrations