Geometry & MOs

Info

ID:

440404

PubChem CID:

135230371

Reduced:

F2O3N6C28H28 (1)

Stoich.:

A2B3C6D28E28 (1)

Weight, g/mol:

551.245644

ΔHf, kcal/mol:

-60.27

Dipole, Da:

9.6

IP(EA), eV:

 -9.31(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-benzyl-4-methyl-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-3-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations