Geometry & MOs

Info

ID:

440617

PubChem CID:

135230631

Reduced:

F2O5N6C30H34 (1)

Stoich.:

A2B5C6D30E34 (1)

Weight, g/mol:

587.245644

ΔHf, kcal/mol:

-176.73

Dipole, Da:

12.73

IP(EA), eV:

 -9.17(-0.66)

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-[4-methyl-5-(1-methylindazol-5-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CCN(CC2)C(=O)CO)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations