Geometry & MOs

Info

ID:

127249

PubChem CID:

50996343

Reduced:

SN2O2C19H22 (1)

Stoich.:

AB2C2D19E22 (1)

Weight, g/mol:

690.222524

ΔHf, kcal/mol:

-38.44

Dipole, Da:

3.6

IP(EA), eV:

 -8.84(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-(2,3-difluorophenyl)imidazo[4,5-d]pyridazin-5-yl]-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C1CCCCC1)C2=NC3=C(C(=CO3)C4=CC=CS4)C(=O)N2

DOS

IR

Vibrations