Geometry & MOs

Info

ID:

440382

PubChem CID:

135230341

Reduced:

O5N7C25H31 (1)

Stoich.:

A5B7C25D31 (1)

Weight, g/mol:

603.260545

ΔHf, kcal/mol:

-89.4

Dipole, Da:

7.49

IP(EA), eV:

 -8.76(-0.82)

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-[5-[5-(1-hydroxycyclopropyl)-6-methoxypyridin-3-yl]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](CN(O1)CCOC)NC(=O)NC2=C(C(=NN2C3=CC=CC=C3)C4=CC(=C(N=C4)OC)C(=O)N)C

DOS

IR

Vibrations