Geometry & MOs

Info

ID:

45131

PubChem CID:

10508223

Reduced:

ClO12C30H41 (1)

Stoich.:

AB12C30D41 (1)

Weight, g/mol:

629.263121

ΔHf, kcal/mol:

-554.92

Dipole, Da:

5.87

IP(EA), eV:

 -10.01(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophene-6-carboxylate

Drug info:

PubChemData

Smile

CCCC(=O)O[C@@H]1C[C@@H]([C@@]2([C@@H](/C=C\C(=C)[C@@H]([C@H]3[C@@]([C@H](C(=O)O3)C)([C@@H]([C@H]2[C@]1(C)O)OC(=O)C)O)Cl)OC(=O)C)C)OC(=O)C

DOS

IR

Vibrations