Geometry & MOs

Info

ID:

437450

PubChem CID:

135226313

Reduced:

F2O5N8C29H30 (1)

Stoich.:

A2B5C8D29E30 (1)

Weight, g/mol:

639.232948

ΔHf, kcal/mol:

-97.98

Dipole, Da:

11.49

IP(EA), eV:

 -9.36(-0.92)

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-[3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-6-yl]pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations