Geometry & MOs

Info

ID:

45195

PubChem CID:

10509048

Reduced:

ON3H45C51 (1)

Stoich.:

AB3C45D51 (1)

Weight, g/mol:

719.201841

ΔHf, kcal/mol:

183.46

Dipole, Da:

5.73

IP(EA), eV:

 -8.8(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@@H](CC2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations