Geometry & MOs

Info

ID:

298567

PubChem CID:

117651161

Reduced:

NO10C12H23 (1)

Stoich.:

AB10C12D23 (1)

Weight, g/mol:

1358.210834

ΔHf, kcal/mol:

-474.9

Dipole, Da:

3.01

IP(EA), eV:

 -10.34(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-3-(2-hydroxyethoxy)thiophene-2-carbonyl]-4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide;1-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-3-(3-hydroxypropoxy)thiophene-2-carbonyl]-4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)OC)O)O.O

DOS

IR

Vibrations