Geometry & MOs

Info

ID:

326503

PubChem CID:

126687685

Reduced:

NSF3O4C26H26 (1)

Stoich.:

ABC3D4E26F26 (1)

Weight, g/mol:

489.176307

ΔHf, kcal/mol:

-270.53

Dipole, Da:

3.97

IP(EA), eV:

 -8.71(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2Z)-2-[6-[[(1R)-4-(morpholin-4-ylmethyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-1-benzofuran-3-ylidene]acetate

Drug info:

PubChemData

Smile

COC(=O)/C=C/1\COC2=C1C=CC(=C2)O[C@@H]3CCC4=C3C=CC(=C4CN5CCSCC5)C(F)(F)F

DOS

IR

Vibrations