Geometry & MOs

Info

ID:

440398

PubChem CID:

135230357

Reduced:

O4N7C25H31 (1)

Stoich.:

A4B7C25D31 (1)

Weight, g/mol:

615.308164

ΔHf, kcal/mol:

-65.19

Dipole, Da:

6.24

IP(EA), eV:

 -8.77(-0.83)

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-5-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CCN1C[C@H]([C@@H](O1)C)NC(=O)NC2=C(C(=NN2C3=CC=CC=C3)C4=CN(C(=O)C(=C4)C(=O)NC)C)C

DOS

IR

Vibrations