Geometry & MOs

Info

ID:	157122
PubChem CID:	56422161
Reduced:	N2O5C20H28 (1)
Stoich.:	A2B5C20D28 (1)
Weight, g/mol:	376.106848
ΔH_f, kcal/mol:	-228.3
Dipole, Da:	4.92
IP(EA), eV:	-9.05(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N2CCCCC2C3OCCO3

DOS

IR

Vibrations