Geometry & MOs

Info

ID:	173292
PubChem CID:	75619643
Reduced:	SN3O3H15C18 (1)
Stoich.:	AB3C3D15E18 (1)
Weight, g/mol:	314.199428
ΔH_f, kcal/mol:	-9.46
Dipole, Da:	8.13
IP(EA), eV:	-9.6(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxypiperidin-1-yl)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC=C(C#N)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations