Geometry & MOs

Info

ID:

440355

PubChem CID:

135230314

Reduced:

ClOSF3N3C11H17 (1)

Stoich.:

ABCD3E3F11G17 (1)

Weight, g/mol:

624.252127

ΔHf, kcal/mol:

-190.61

Dipole, Da:

4.35

IP(EA), eV:

 -8.76(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazolidin-4-yl]-3-[4-methyl-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CCN/C(=C(/N)\Cl)/C=NC(=O)CCSCCC(F)(F)F

DOS

IR

Vibrations