Geometry & MOs

Info

ID:

326504

PubChem CID:

126687686

Reduced:

NF3O5C26H26 (1)

Stoich.:

AB3C5D26E26 (1)

Weight, g/mol:

556.164363

ΔHf, kcal/mol:

-310.19

Dipole, Da:

3.57

IP(EA), eV:

 -9.1(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2Z)-2-[6-[[(1R)-4-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]-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(=C4CN5CCOCC5)C(F)(F)F

DOS

IR

Vibrations