Geometry & MOs

Info

ID:

437457

PubChem CID:

135226320

Reduced:

FO4N7C28H30 (1)

Stoich.:

AB4C7D28E30 (1)

Weight, g/mol:

551.184794

ΔHf, kcal/mol:

-45.92

Dipole, Da:

8.46

IP(EA), eV:

 -9.04(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations