Geometry & MOs

Info

ID:	151737
PubChem CID:	56310361
Reduced:	ClSO2N7C19H24 (1)
Stoich.:	ABC2D7E19F24 (1)
Weight, g/mol:	458.172083
ΔH_f, kcal/mol:	27.71
Dipole, Da:	4.85
IP(EA), eV:	-8.66(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC(=O)N1CCN(CC1)C2=CC=C(C=C2)Cl)SC3=NN=NN3C4CC4

DOS

IR

Vibrations