Geometry & MOs

Info

ID:

440570

PubChem CID:

135230567

Reduced:

F2O5N6C30H30 (1)

Stoich.:

A2B5C6D30E30 (1)

Weight, g/mol:

577.244895

ΔHf, kcal/mol:

-130.1

Dipole, Da:

7.98

IP(EA), eV:

 -8.73(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-(5,6-dimethoxypyridin-3-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=CC3=C(N=C2)OCCO3)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(C=C6)F)F)CCOC

DOS

IR

Vibrations