Geometry & MOs

Info

ID:	155524
PubChem CID:	56365860
Reduced:	SN2O2C25H32 (1)
Stoich.:	AB2C2D25E32 (1)
Weight, g/mol:	444.163827
ΔH_f, kcal/mol:	-61.48
Dipole, Da:	5.38
IP(EA), eV:	-8.73(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-2-(2-chlorophenyl)sulfanyl-N-propylpropanamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)SC(C)C

DOS

IR

Vibrations