Geometry & MOs

Info

ID:

228244

PubChem CID:

87563735

Reduced:

NSF6O6C19H21 (1)

Stoich.:

ABC6D6E19F21 (1)

Weight, g/mol:

600.19083

ΔHf, kcal/mol:

-557.79

Dipole, Da:

10.4

IP(EA), eV:

 -10.02(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[4-[5-[[2-(2,3-difluorophenyl)-4,6-dihydroimidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazol-3-yl]-3-(trifluoromethyl)phenoxy]piperidin-1-yl]acetaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CC(CC1C(=O)O)S(=O)(=O)C2=C(C=C(C=C2)OCC(F)(F)F)C(F)(F)F

DOS

IR

Vibrations