Geometry & MOs

Info

ID:	164684
PubChem CID:	74437337
Reduced:	N2O2S2C13H13 (2)
Stoich.:	A2B2C2D13E13 (2)
Weight, g/mol:	396.202463
ΔH_f, kcal/mol:	-45.92
Dipole, Da:	2.25
IP(EA), eV:	-8.62(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]butanoyl]piperidin-2-one

Drug info:

PubChemData

Smile

C1=CC(=C2NC(=CS2)C(=S)NCCOCCOCCNC(=S)C3=CSC(=C4C=CC=CC4=O)N3)C(=O)C=C1

DOS

IR

Vibrations