Geometry & MOs

Info

ID:

437442

PubChem CID:

135226305

Reduced:

F2O5N6H28C29 (1)

Stoich.:

A2B5C6D28E29 (1)

Weight, g/mol:

639.232948

ΔHf, kcal/mol:

-148.84

Dipole, Da:

16.52

IP(EA), eV:

 -9.36(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations