Geometry & MOs

Info

ID:

440346

PubChem CID:

135230305

Reduced:

FO3N8C26H29 (1)

Stoich.:

AB3C8D26E29 (1)

Weight, g/mol:

555.220572

ΔHf, kcal/mol:

3.66

Dipole, Da:

8.59

IP(EA), eV:

 -8.68(-0.67)

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-[2-(4-fluorophenyl)-4-methyl-5-(1-methylpyrazol-4-yl)pyrazol-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(=NC=C5)F)CCOC

DOS

IR

Vibrations