Geometry & MOs

Info

ID:	353184
PubChem CID:	127284364
Reduced:	SN2O3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	395.260649
ΔH_f, kcal/mol:	-76.42
Dipole, Da:	3.9
IP(EA), eV:	-8.96(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-piperidin-1-yl-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]butanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NC2C3=CC=CC=C3OC4=CC=CC=C24

DOS

IR

Vibrations