Geometry & MOs

Info

ID:

440630

PubChem CID:

135230656

Reduced:

O2N7C26H29 (1)

Stoich.:

A2B7C26D29 (1)

Weight, g/mol:

588.240893

ΔHf, kcal/mol:

78.54

Dipole, Da:

4.5

IP(EA), eV:

 -8.59(-0.44)

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-(3-methylimidazo[4,5-b]pyridin-6-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CCN1C[C@H]([C@@H](O1)C2=CC=CC=C2)NC(=O)NC3=C(C(=NN3C4=CC=CC=C4)C5=CN(N=C5)C)C

DOS

IR

Vibrations