Geometry & MOs

Info

ID:

326531

PubChem CID:

126687727

Reduced:

SN2F3O4H27C28 (1)

Stoich.:

AB2C3D4E27F28 (1)

Weight, g/mol:

532.218507

ΔHf, kcal/mol:

-247.4

Dipole, Da:

5.74

IP(EA), eV:

 -9.0(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[[4-[(4-propanoylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

Drug info:

PubChemData

Smile

COC(=O)CC1COC2=C1C=CC(=C2)O[C@@H]3CCC4=C3C=CC(=C4CN5CCC6=C(C5)SC=N6)C(F)(F)F

DOS

IR

Vibrations