Geometry & MOs

Info

ID:	353027
PubChem CID:	127284177
Reduced:	ClSN2O3C19H19 (1)
Stoich.:	ABC2D3E19F19 (1)
Weight, g/mol:	325.236542
ΔH_f, kcal/mol:	-81.0
Dipole, Da:	3.24
IP(EA), eV:	-9.24(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-2-piperidin-1-ylbutanamide

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)OC=C2)NC(=O)C3CSCN3C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations