Geometry & MOs

Info

ID:

424918

PubChem CID:

135124451

Reduced:

SF3O4N6H33C35 (1)

Stoich.:

AB3C4D6E33F35 (1)

Weight, g/mol:

485.234828

ΔHf, kcal/mol:

-168.2

Dipole, Da:

8.28

IP(EA), eV:

 -8.68(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-(1-ethyltriazol-4-yl)-3-[4-[(4-methoxyphenyl)methoxymethyl]-5-methylthiophen-2-yl]-2,2-dimethylpentanoate

Drug info:

PubChemData

Smile

C[C@H]1CC2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)N(C1)CC3=C(C=CC(=C3)/C(=C/C(=O)NC4=CN=CC=C4)/C5=CC6=C(C(=C5)OC)N(N=N6)C)C

DOS

IR

Vibrations