Geometry & MOs

Info

ID:	69380
PubChem CID:	46530903
Reduced:	ClSO2N4C21H23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	447.138341
ΔH_f, kcal/mol:	-36.72
Dipole, Da:	2.29
IP(EA), eV:	-9.16(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)CCN2C=NC3=C(C2=O)C=CS3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations