Geometry & MOs

Info

ID:

440621

PubChem CID:

135230637

Reduced:

O5N7C25H29 (1)

Stoich.:

A5B7C25D29 (1)

Weight, g/mol:

558.256623

ΔHf, kcal/mol:

-74.9

Dipole, Da:

6.9

IP(EA), eV:

 -8.88(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-fluoroethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-2-phenyl-5-(piperidin-4-ylmethoxy)pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](CN(O1)CCOC)NC(=O)NC2=C(C(=NN2C3=CC=CC=C3)C4=CC5=C(NC(=O)CO5)N=C4)C

DOS

IR

Vibrations