Geometry & MOs

Info

ID:

144635

PubChem CID:

53390470

Reduced:

SiO7N8C45H54 (1)

Stoich.:

AB7C8D45E54 (1)

Weight, g/mol:

508.073882

ΔHf, kcal/mol:

-229.85

Dipole, Da:

3.49

IP(EA), eV:

 -8.42(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[5-cyano-2-(3,5-dichlorophenoxy)phenyl]sulfonylamino]-N-prop-2-enylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC[C@H]1C2=NC3=C(N2)C=CC4=C3C=CC(=C4)C5=CC6=C(C=C5)C=C(O6)C7=CN=C(N7)C8C[Si](CN8C(=O)C(C(C)C)NC(=O)OC)(C)C)NC(=O)OC

DOS

IR

Vibrations