Geometry & MOs

Info

ID:

437471

PubChem CID:

135226396

Reduced:

FO3N10C28H29 (1)

Stoich.:

AB3C10D28E29 (1)

Weight, g/mol:

596.12953

ΔHf, kcal/mol:

50.93

Dipole, Da:

9.33

IP(EA), eV:

 -8.98(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-(2-bromopyrimidin-5-yl)-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C3C(=N2)C=NN3C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations