Geometry & MOs

Info

ID:

440484

PubChem CID:

135230470

Reduced:

FO4N8C32H35 (1)

Stoich.:

AB4C8D32E35 (1)

Weight, g/mol:

568.297345

ΔHf, kcal/mol:

-60.43

Dipole, Da:

6.57

IP(EA), eV:

 -9.03(-0.81)

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-[2-(1-methylpiperidin-4-yl)ethoxy]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=C(CCN(C3)C(=O)C)N=C2)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations