Geometry & MOs

Info

ID:

437417

PubChem CID:

135226278

Reduced:

FO5N7C31H34 (1)

Stoich.:

AB5C7D31E34 (1)

Weight, g/mol:

571.245564

ΔHf, kcal/mol:

-118.27

Dipole, Da:

9.36

IP(EA), eV:

 -8.83(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations