Geometry & MOs

Info

ID:

437444

PubChem CID:

135226307

Reduced:

SF2O4N6C31H34 (1)

Stoich.:

AB2C4D6E31F34 (1)

Weight, g/mol:

639.232948

ΔHf, kcal/mol:

-108.02

Dipole, Da:

4.96

IP(EA), eV:

 -7.59(-0.27)

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-2-phenyl-5-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridin-5-yl]pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations