Geometry & MOs

Info

ID:	185513
PubChem CID:	77308839
Reduced:	SCl2O3N4C18H26 (1)
Stoich.:	AB2C3D4E18F26 (1)
Weight, g/mol:	346.164105
ΔH_f, kcal/mol:	-124.21
Dipole, Da:	3.36
IP(EA), eV:	-9.16(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(5-cyanopyridin-2-yl)oxypiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)C(=O)N2CC(C(C2)C3=CC(=C(C=C3)Cl)Cl)CCN

DOS

IR

Vibrations