Geometry & MOs

Info

ID:

437482

PubChem CID:

135226407

Reduced:

F2O3N8C26H28 (1)

Stoich.:

A2B3C8D26E28 (1)

Weight, g/mol:

537.229994

ΔHf, kcal/mol:

-44.22

Dipole, Da:

8.49

IP(EA), eV:

 -8.8(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2S,3R,5S)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)oxolan-3-yl]-3-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridin-2-ylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN(N=C2)C)C3=CC=CC=N3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations