Geometry & MOs

Info

ID:

440422

PubChem CID:

135230399

Reduced:

F2O7N8C33H38 (1)

Stoich.:

A2B7C8D33E38 (1)

Weight, g/mol:

534.219095

ΔHf, kcal/mol:

-198.4

Dipole, Da:

10.84

IP(EA), eV:

 -9.01(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(1-methyl-6-oxopyridin-3-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations